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Organoheterocyclic compounds

Organic compounds that consist of ring structures, or cyclic compounds that have atoms of at least two different elements as members of its ring(s).
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1 – 15 of 59 results
1

1H-Tetrazole, 0.45M in acetonitrile

CAS: 288-94-8 Molecular Formula: CH2N4 Molecular Weight (g/mol): 70.055 MDL Number: MFCD00005247 InChI Key: KJUGUADJHNHALS-UHFFFAOYSA-N PubChem CID: 67519 ChEBI: CHEBI:33193 IUPAC Name: 2H-tetrazole SMILES: C1=NNN=N1

PubChem CID 67519
CAS 288-94-8
Molecular Weight (g/mol) 70.055
ChEBI CHEBI:33193
MDL Number MFCD00005247
SMILES C1=NNN=N1
IUPAC Name 2H-tetrazole
InChI Key KJUGUADJHNHALS-UHFFFAOYSA-N
Molecular Formula CH2N4
2

Benzo[b]furan-3-acetonitrile, 99%

CAS: 52407-43-9 Molecular Formula: C10H7NO Molecular Weight (g/mol): 157.172 MDL Number: MFCD02183555 InChI Key: BJAJKVZABJZXDC-UHFFFAOYSA-N Synonym: 1-benzofuran-3-ylacetonitrile,3-benzo b furylacetonitrile,benzofuran-3-acetonitrile,2-benzofuran-3-yl acetonitrile,benzo b furan-3-acetonitrile,2-3-benzofuranyl acetonitrile,2-1-benzofuran-3-yl acetonitrile,2-benzo b furan-3-ylethanenitrile,pubchem7006,3-benzofuranylacetonitrile PubChem CID: 2769401 IUPAC Name: 2-(1-benzofuran-3-yl)acetonitrile SMILES: C1=CC=C2C(=C1)C(=CO2)CC#N

PubChem CID 2769401
CAS 52407-43-9
Molecular Weight (g/mol) 157.172
MDL Number MFCD02183555
SMILES C1=CC=C2C(=C1)C(=CO2)CC#N
Synonym 1-benzofuran-3-ylacetonitrile,3-benzo b furylacetonitrile,benzofuran-3-acetonitrile,2-benzofuran-3-yl acetonitrile,benzo b furan-3-acetonitrile,2-3-benzofuranyl acetonitrile,2-1-benzofuran-3-yl acetonitrile,2-benzo b furan-3-ylethanenitrile,pubchem7006,3-benzofuranylacetonitrile
IUPAC Name 2-(1-benzofuran-3-yl)acetonitrile
InChI Key BJAJKVZABJZXDC-UHFFFAOYSA-N
Molecular Formula C10H7NO
3

Tetrazole, 3 to 4 wt.% solution in acetonitrile, AcroSeal™

CAS: 288-94-8 | CH2N4 | 70.05 g/mol

Boiling Point 77°C
Molecular Weight (g/mol) 70.05
ChEBI CHEBI:33193
Color Cream to Orange
Physical Form Crystalline Powder
Chemical Name or Material Tetrazole
SMILES C1=NNN=N1
InChI Key KJUGUADJHNHALS-UHFFFAOYSA-N
Density 0.8000g/mL
PubChem CID 67519
CAS 75-05-8
Health Hazard 3 GHS P Statement
IF ON SKIN: Wash with plenty of soap and water.
IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell.
IF INHALED: Remove to fresh air and keep at rest in a position comfortable for breathing.
Wea
Health Hazard 2 GHS H Statement
Highly flammable liquid and vapour.
Causes serious eye irritation.
Harmful if swallowed.
Harmful if inhaled.
Harmful in contact with skin.
Packaging AcroSeal™ Glass Bottle
Flash Point 5°C
Health Hazard 1 GHS Signal Word: Danger
IUPAC Name 2H-tetrazole
Molecular Formula CH2N4
EINECS Number 206-023-4
Formula Weight 70.05
Specific Gravity 0.8
4

2-(4-Methyl-1,3-thiazol-2-yl)acetonitrile, 97%, Thermo Scientific™

CAS: 19785-39-8 Molecular Formula: C6H6N2S Molecular Weight (g/mol): 138.19 MDL Number: MFCD03011392 InChI Key: XSRRCOBFMZWKJR-UHFFFAOYSA-N Synonym: 2-4-methyl-1,3-thiazol-2-yl acetonitrile,2-4-methylthiazol-2-yl acetonitrile,4-methyl-1,3-thiazol-2-yl acetonitrile,4-methyl-1,3-thiazole-2-yl acetonitrile,2-thiazoleacetonitrile,4-methyl,2-4-methyl-1,3-thiazol-2-yl ethanenitrile,2-thiazoleacetonitrile, 4-methyl,4-methyl-2-thiazoleacetonitrile,4-methylthiazole-2-acetonitrile,4-methylthiazol-2-yl-acetonitrile PubChem CID: 737184 IUPAC Name: 2-(4-methyl-1,3-thiazol-2-yl)acetonitrile SMILES: CC1=CSC(CC#N)=N1

PubChem CID 737184
CAS 19785-39-8
Molecular Weight (g/mol) 138.19
MDL Number MFCD03011392
SMILES CC1=CSC(CC#N)=N1
Synonym 2-4-methyl-1,3-thiazol-2-yl acetonitrile,2-4-methylthiazol-2-yl acetonitrile,4-methyl-1,3-thiazol-2-yl acetonitrile,4-methyl-1,3-thiazole-2-yl acetonitrile,2-thiazoleacetonitrile,4-methyl,2-4-methyl-1,3-thiazol-2-yl ethanenitrile,2-thiazoleacetonitrile, 4-methyl,4-methyl-2-thiazoleacetonitrile,4-methylthiazole-2-acetonitrile,4-methylthiazol-2-yl-acetonitrile
IUPAC Name 2-(4-methyl-1,3-thiazol-2-yl)acetonitrile
InChI Key XSRRCOBFMZWKJR-UHFFFAOYSA-N
Molecular Formula C6H6N2S
6

Indole-3-acetonitrile, TRC

CAS: 771-51-7 Molecular Formula: C10 H8 N2 Molecular Weight (g/mol): 156.18 Synonym: Indole-3-acetonitrile,3-Indoleacetonitrile IUPAC Name: 2-(1H-indol-3-yl)acetonitrile SMILES: N#CCc1c[nH]c2ccccc12

CAS 771-51-7
Molecular Weight (g/mol) 156.18
SMILES N#CCc1c[nH]c2ccccc12
Synonym Indole-3-acetonitrile,3-Indoleacetonitrile
IUPAC Name 2-(1H-indol-3-yl)acetonitrile
Molecular Formula C10 H8 N2
7

2-(2,2-Difluorobenzo[d][1,3]dioxol-5-yl)acetonitrile, TRC

CAS: 68119-31-3 Molecular Formula: C9H5NO2F2 Molecular Weight (g/mol): 197.14 SMILES: FC1(F)Oc2ccc(CC#N)cc2O1

CAS 68119-31-3
Molecular Weight (g/mol) 197.14
SMILES FC1(F)Oc2ccc(CC#N)cc2O1
Molecular Formula C9H5NO2F2
9

Fluorescamine

CAS: 38183-12-9 Molecular Formula: C17H10O4 Molecular Weight (g/mol): 278.26 MDL Number: MFCD00005928 InChI Key: ZFKJVJIDPQDDFY-UHFFFAOYNA-N Synonym: fluorescamine,fluram,spiro furan-2 3h ,1' 3'h-isobenzofuran-3,3'-dione, 4-phenyl,4'-phenylspiro 2-benzofuran-3,2'-furan-1,3'-dione,4-phenylspiro furan-2 3h ,1'-phthalan-3,3'-dione,4-phenylspiro furan-2 3h-1'-3'-h-isobenzofuran-3,3'-dione,zfkjvjidpqddfy-uhfffaoysa,4'-phenylspiro 2-benzofuran-3,2'-furan-1,3'-dion PubChem CID: 37927 SMILES: O=C1OC2(OC=C(C2=O)C2=CC=CC=C2)C2=CC=CC=C12

EDGE
PubChem CID 37927
CAS 38183-12-9
Molecular Weight (g/mol) 278.26
MDL Number MFCD00005928
SMILES O=C1OC2(OC=C(C2=O)C2=CC=CC=C2)C2=CC=CC=C12
Synonym fluorescamine,fluram,spiro furan-2 3h ,1' 3'h-isobenzofuran-3,3'-dione, 4-phenyl,4'-phenylspiro 2-benzofuran-3,2'-furan-1,3'-dione,4-phenylspiro furan-2 3h ,1'-phthalan-3,3'-dione,4-phenylspiro furan-2 3h-1'-3'-h-isobenzofuran-3,3'-dione,zfkjvjidpqddfy-uhfffaoysa,4'-phenylspiro 2-benzofuran-3,2'-furan-1,3'-dion
InChI Key ZFKJVJIDPQDDFY-UHFFFAOYNA-N
Molecular Formula C17H10O4
10

Thermo Scientific Chemicals Omeprazole, 98+%

CAS: 73590-58-6 Molecular Formula: C17H19N3O3S Molecular Weight (g/mol): 345.42 InChI Key: SUBDBMMJDZJVOS-UHFFFAOYSA-N Synonym: omeprazole,losec,prilosec,antra,esomeprazole,omeprazon,audazol,omapren,omepral,parizac PubChem CID: 4594 ChEBI: CHEBI:77260 IUPAC Name: 6-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]-1H-benzimidazole SMILES: CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC

EDGE
PubChem CID 4594
CAS 73590-58-6
Molecular Weight (g/mol) 345.42
ChEBI CHEBI:77260
SMILES CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC
Synonym omeprazole,losec,prilosec,antra,esomeprazole,omeprazon,audazol,omapren,omepral,parizac
IUPAC Name 6-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]-1H-benzimidazole
InChI Key SUBDBMMJDZJVOS-UHFFFAOYSA-N
Molecular Formula C17H19N3O3S
11

2-Pyridineacetonitrile, 97%

CAS: 2739-97-1 Molecular Formula: C7H6N2 Molecular Weight (g/mol): 118.139 MDL Number: MFCD00006346 InChI Key: UKVQBONVSSLJBB-UHFFFAOYSA-N Synonym: 2-pyridylacetonitrile,2-pyridineacetonitrile,pyridine-2-acetonitrile,2-pyridin-2-yl acetonitrile,2-2-pyridyl acetonitrile,2-cyanomethyl pyridine,pyridine-acetonitrile,pyridyl-2-acetonitrile,pyridin-2-ylacetonitrile,pyridin-2-yl acetonitrile PubChem CID: 75959 IUPAC Name: 2-pyridin-2-ylacetonitrile SMILES: C1=CC=NC(=C1)CC#N

PubChem CID 75959
CAS 2739-97-1
Molecular Weight (g/mol) 118.139
MDL Number MFCD00006346
SMILES C1=CC=NC(=C1)CC#N
Synonym 2-pyridylacetonitrile,2-pyridineacetonitrile,pyridine-2-acetonitrile,2-pyridin-2-yl acetonitrile,2-2-pyridyl acetonitrile,2-cyanomethyl pyridine,pyridine-acetonitrile,pyridyl-2-acetonitrile,pyridin-2-ylacetonitrile,pyridin-2-yl acetonitrile
IUPAC Name 2-pyridin-2-ylacetonitrile
InChI Key UKVQBONVSSLJBB-UHFFFAOYSA-N
Molecular Formula C7H6N2
12

3-Thiopheneacetonitrile, 98%

CAS: 13781-53-8 Molecular Formula: C6H5NS Molecular Weight (g/mol): 123.17 MDL Number: MFCD00005471 InChI Key: GWZCLMWEJWPFFA-UHFFFAOYSA-N Synonym: 3-thiopheneacetonitrile,thiophene-3-acetonitrile,2-thiophen-3-yl acetonitrile,3-thienylacetonitrile,3-cyanomethylthiophene,3-thiophene acetonitrile,thien-3-ylacetonitrile,2-3-thienyl acetonitrile,thiophen-3-acetonitrile,2-3-thienyl ethanenitrile PubChem CID: 83730 IUPAC Name: 2-thiophen-3-ylacetonitrile SMILES: N#CCC1=CSC=C1

PubChem CID 83730
CAS 13781-53-8
Molecular Weight (g/mol) 123.17
MDL Number MFCD00005471
SMILES N#CCC1=CSC=C1
Synonym 3-thiopheneacetonitrile,thiophene-3-acetonitrile,2-thiophen-3-yl acetonitrile,3-thienylacetonitrile,3-cyanomethylthiophene,3-thiophene acetonitrile,thien-3-ylacetonitrile,2-3-thienyl acetonitrile,thiophen-3-acetonitrile,2-3-thienyl ethanenitrile
IUPAC Name 2-thiophen-3-ylacetonitrile
InChI Key GWZCLMWEJWPFFA-UHFFFAOYSA-N
Molecular Formula C6H5NS
13

2-Benzothiazoleacetonitrile, 98%

CAS: 56278-50-3 Molecular Formula: C9H6N2S Molecular Weight (g/mol): 174.221 MDL Number: MFCD00051633 InChI Key: ZMZSYUSDGRJZNT-UHFFFAOYSA-N Synonym: benzothiazole-2-acetonitrile,2-benzo d thiazol-2-yl acetonitrile,2-benzothiazoleacetonitrile,2-1,3-benzothiazol-2-yl acetonitrile,benzothiazole-2-yl-acetonitrile,1,3-benzothiazol-2-ylacetonitrile,benzothiazol-2-ylacetonitrile,2-cyanomethyl-1,3-benzothiazole,2-benzothiazol-2-ylethanenitrile,2-cyanomethylbenzothiazole PubChem CID: 342465 IUPAC Name: 2-(1,3-benzothiazol-2-yl)acetonitrile SMILES: C1=CC=C2C(=C1)N=C(S2)CC#N

PubChem CID 342465
CAS 56278-50-3
Molecular Weight (g/mol) 174.221
MDL Number MFCD00051633
SMILES C1=CC=C2C(=C1)N=C(S2)CC#N
Synonym benzothiazole-2-acetonitrile,2-benzo d thiazol-2-yl acetonitrile,2-benzothiazoleacetonitrile,2-1,3-benzothiazol-2-yl acetonitrile,benzothiazole-2-yl-acetonitrile,1,3-benzothiazol-2-ylacetonitrile,benzothiazol-2-ylacetonitrile,2-cyanomethyl-1,3-benzothiazole,2-benzothiazol-2-ylethanenitrile,2-cyanomethylbenzothiazole
IUPAC Name 2-(1,3-benzothiazol-2-yl)acetonitrile
InChI Key ZMZSYUSDGRJZNT-UHFFFAOYSA-N
Molecular Formula C9H6N2S
14

2-Benzimidazoleacetonitrile, 99%

CAS: 4414-88-4 Molecular Formula: C9H7N3 Molecular Weight (g/mol): 157.176 MDL Number: MFCD00005601 InChI Key: BWOVACANEIVHST-UHFFFAOYSA-N Synonym: 2-benzimidazolyl acetonitrile,2-cyanomethyl benzimidazole,1h-benzimidazole-2-acetonitrile,2-benzimidazoleacetonitrile,2-benzimidazolylacetonitrile,2-cyanomethylbenzimidazole,1h-benzimidazol-2-ylacetonitrile,2-kyanmethylbenzimidazol,benzimidazole, 2-cyanomethyl,2-1h-1,3-benzodiazol-2-yl acetonitrile PubChem CID: 20455 IUPAC Name: 2-(1H-benzimidazol-2-yl)acetonitrile SMILES: C1=CC=C2C(=C1)NC(=N2)CC#N

PubChem CID 20455
CAS 4414-88-4
Molecular Weight (g/mol) 157.176
MDL Number MFCD00005601
SMILES C1=CC=C2C(=C1)NC(=N2)CC#N
Synonym 2-benzimidazolyl acetonitrile,2-cyanomethyl benzimidazole,1h-benzimidazole-2-acetonitrile,2-benzimidazoleacetonitrile,2-benzimidazolylacetonitrile,2-cyanomethylbenzimidazole,1h-benzimidazol-2-ylacetonitrile,2-kyanmethylbenzimidazol,benzimidazole, 2-cyanomethyl,2-1h-1,3-benzodiazol-2-yl acetonitrile
IUPAC Name 2-(1H-benzimidazol-2-yl)acetonitrile
InChI Key BWOVACANEIVHST-UHFFFAOYSA-N
Molecular Formula C9H7N3
15

3,4-(Methylenedioxy)phenylacetonitrile, 98+%

CAS: 4439-02-5 Molecular Formula: C9H7NO2 Molecular Weight (g/mol): 161.16 MDL Number: MFCD00005835 InChI Key: ZQPBOYASBNAXOZ-UHFFFAOYSA-N Synonym: 3,4-methylenedioxy phenylacetonitrile,1,3-benzodioxole-5-acetonitrile,3,4-methylenedioxyphenylacetonitrile,2-benzo d 1,3 dioxol-5-yl acetonitrile,3,4-methylenedioxybenzyl cyanide,2-2h-1,3-benzodioxol-5-yl acetonitrile,1,3-benzodioxol-5-ylacetonitrile,2-1,3-benzodioxol-5-yl acetonitrile,3,4-methylenedioxybenzylcyanide,homopiperonylonitrile PubChem CID: 78178 IUPAC Name: 2-(1,3-benzodioxol-5-yl)acetonitrile SMILES: C1OC2=C(O1)C=C(C=C2)CC#N

PubChem CID 78178
CAS 4439-02-5
Molecular Weight (g/mol) 161.16
MDL Number MFCD00005835
SMILES C1OC2=C(O1)C=C(C=C2)CC#N
Synonym 3,4-methylenedioxy phenylacetonitrile,1,3-benzodioxole-5-acetonitrile,3,4-methylenedioxyphenylacetonitrile,2-benzo d 1,3 dioxol-5-yl acetonitrile,3,4-methylenedioxybenzyl cyanide,2-2h-1,3-benzodioxol-5-yl acetonitrile,1,3-benzodioxol-5-ylacetonitrile,2-1,3-benzodioxol-5-yl acetonitrile,3,4-methylenedioxybenzylcyanide,homopiperonylonitrile
IUPAC Name 2-(1,3-benzodioxol-5-yl)acetonitrile
InChI Key ZQPBOYASBNAXOZ-UHFFFAOYSA-N
Molecular Formula C9H7NO2