Organoheterocyclic compounds
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2-n-Pentylpyridine, 98%
CAS: 2294-76-0 Molecular Formula: C10H15N Molecular Weight (g/mol): 149.237 MDL Number: MFCD00051828 InChI Key: HSDXVAOHEOSTFZ-UHFFFAOYSA-N Synonym: 2-amylpyridine,pyridine, 2-pentyl,2-n-pentylpyridine,2-n-amylpyridine,pyridine, pentyl,unii-9n74l1ud11,2-amyl pyridine,2-pentyl pyridine,2-pentyl-pyridine,acmc-1cmx8 PubChem CID: 16800 IUPAC Name: 2-pentylpyridine SMILES: CCCCCC1=CC=CC=N1
| PubChem CID | 16800 |
|---|---|
| CAS | 2294-76-0 |
| Molecular Weight (g/mol) | 149.237 |
| MDL Number | MFCD00051828 |
| SMILES | CCCCCC1=CC=CC=N1 |
| Synonym | 2-amylpyridine,pyridine, 2-pentyl,2-n-pentylpyridine,2-n-amylpyridine,pyridine, pentyl,unii-9n74l1ud11,2-amyl pyridine,2-pentyl pyridine,2-pentyl-pyridine,acmc-1cmx8 |
| IUPAC Name | 2-pentylpyridine |
| InChI Key | HSDXVAOHEOSTFZ-UHFFFAOYSA-N |
| Molecular Formula | C10H15N |
2,5-Dimethylpyrrole, 97%
CAS: 625-84-3 Molecular Formula: C6H9N Molecular Weight (g/mol): 95.14 MDL Number: MFCD00005223 InChI Key: PAPNRQCYSFBWDI-UHFFFAOYSA-N Synonym: 2,5-dimethylpyrrole,2,5-dimethylazole,1h-pyrrole, 2,5-dimethyl,pyrrole, 2,5-dimethyl,unii-mz3oyf5521,2,5-dimethyl-pyrrole,pyrrole,2,5-dimethyl,2,5-dimethyl pyrrole,pyrrole, 2,5-dimethyl-8ci,2,5-bimethylpyrrole PubChem CID: 12265 IUPAC Name: 2,5-dimethyl-1H-pyrrole SMILES: CC1=CC=C(N1)C
| PubChem CID | 12265 |
|---|---|
| CAS | 625-84-3 |
| Molecular Weight (g/mol) | 95.14 |
| MDL Number | MFCD00005223 |
| SMILES | CC1=CC=C(N1)C |
| Synonym | 2,5-dimethylpyrrole,2,5-dimethylazole,1h-pyrrole, 2,5-dimethyl,pyrrole, 2,5-dimethyl,unii-mz3oyf5521,2,5-dimethyl-pyrrole,pyrrole,2,5-dimethyl,2,5-dimethyl pyrrole,pyrrole, 2,5-dimethyl-8ci,2,5-bimethylpyrrole |
| IUPAC Name | 2,5-dimethyl-1H-pyrrole |
| InChI Key | PAPNRQCYSFBWDI-UHFFFAOYSA-N |
| Molecular Formula | C6H9N |
4,5-Dicyanoimidazole, 98+%
CAS: 1122-28-7 Molecular Formula: C5H2N4 Molecular Weight (g/mol): 118.10 MDL Number: MFCD00005194 InChI Key: XGDRLCRGKUCBQL-UHFFFAOYSA-N PubChem CID: 70729 IUPAC Name: 1H-imidazole-4,5-dicarbonitrile SMILES: N#CC1=C(N=CN1)C#N
| PubChem CID | 70729 |
|---|---|
| CAS | 1122-28-7 |
| Molecular Weight (g/mol) | 118.10 |
| MDL Number | MFCD00005194 |
| SMILES | N#CC1=C(N=CN1)C#N |
| IUPAC Name | 1H-imidazole-4,5-dicarbonitrile |
| InChI Key | XGDRLCRGKUCBQL-UHFFFAOYSA-N |
| Molecular Formula | C5H2N4 |
1,2-Bis(4-pyridyl)ethane, 97%
CAS: 4916-57-8 Molecular Formula: C12H12N2 Molecular Weight (g/mol): 184.24 MDL Number: MFCD00006451 InChI Key: DQRKTVIJNCVZAX-UHFFFAOYSA-N Synonym: 1,2-bis 4-pyridyl ethane,1,2-di pyridin-4-yl ethane,4,4'-ethylenedipyridine,1,2-di 4-pyridyl ethane,4,4'-ethane-1,2-diyldipyridine,unii-wo1evc302b,pyridine, 4,4'-1,2-ethanediyl bis,wo1evc302b,chembl70083,4-2-pyridin-4-ylethyl pyridine PubChem CID: 78630 IUPAC Name: 4-(2-pyridin-4-ylethyl)pyridine SMILES: C1=CN=CC=C1CCC2=CC=NC=C2
| PubChem CID | 78630 |
|---|---|
| CAS | 4916-57-8 |
| Molecular Weight (g/mol) | 184.24 |
| MDL Number | MFCD00006451 |
| SMILES | C1=CN=CC=C1CCC2=CC=NC=C2 |
| Synonym | 1,2-bis 4-pyridyl ethane,1,2-di pyridin-4-yl ethane,4,4'-ethylenedipyridine,1,2-di 4-pyridyl ethane,4,4'-ethane-1,2-diyldipyridine,unii-wo1evc302b,pyridine, 4,4'-1,2-ethanediyl bis,wo1evc302b,chembl70083,4-2-pyridin-4-ylethyl pyridine |
| IUPAC Name | 4-(2-pyridin-4-ylethyl)pyridine |
| InChI Key | DQRKTVIJNCVZAX-UHFFFAOYSA-N |
| Molecular Formula | C12H12N2 |
2-Methyl-3-(2-furyl)propenal, 97%
CAS: 874-66-8 Molecular Formula: C8H8O2 Molecular Weight (g/mol): 136.15 MDL Number: MFCD00063240 InChI Key: ZNBXZUKDRRRQJK-FNORWQNLSA-N Synonym: 2-methyl-3-2-furyl propenal,alpha-methylfurylacrolein,2-methyl-3-2-furyl acrolein,furfurylidene-2-propanal,furfurylidine-2-propanal,2-methyl-3-furylacrolein,alpha-methyl-2-furanacrolein,2-furfurylidenepropionaldehyde,3-2-furyl methacrylaldehyde,2-methyl-3 2-furyl acrolein PubChem CID: 6210220 IUPAC Name: (E)-3-(furan-2-yl)-2-methylprop-2-enal SMILES: CC(=CC1=CC=CO1)C=O
| PubChem CID | 6210220 |
|---|---|
| CAS | 874-66-8 |
| Molecular Weight (g/mol) | 136.15 |
| MDL Number | MFCD00063240 |
| SMILES | CC(=CC1=CC=CO1)C=O |
| Synonym | 2-methyl-3-2-furyl propenal,alpha-methylfurylacrolein,2-methyl-3-2-furyl acrolein,furfurylidene-2-propanal,furfurylidine-2-propanal,2-methyl-3-furylacrolein,alpha-methyl-2-furanacrolein,2-furfurylidenepropionaldehyde,3-2-furyl methacrylaldehyde,2-methyl-3 2-furyl acrolein |
| IUPAC Name | (E)-3-(furan-2-yl)-2-methylprop-2-enal |
| InChI Key | ZNBXZUKDRRRQJK-FNORWQNLSA-N |
| Molecular Formula | C8H8O2 |
4-Pyrimidin-2-ylbenzonitrile, 95%, Thermo Scientific™
CAS: 78322-96-0 Molecular Formula: C11H7N3 Molecular Weight (g/mol): 181.198 MDL Number: MFCD09817491 InChI Key: WGCKVXHOTDDNOA-UHFFFAOYSA-N Synonym: 4-pyrimidin-2-yl benzonitrile,4-cyanophenyl pyrimidine,2-4-cyanophenyl pyrimidine,4-pyrimidin-2-yl-benzonitrile,4-2-pyrimidinyl benzonitrile,benzonitrile, 4-2-pyrimidinyl,4-pyrimidin-2-ylbenzenecarbonitrile PubChem CID: 15486310 IUPAC Name: 4-pyrimidin-2-ylbenzonitrile SMILES: C1=CN=C(N=C1)C2=CC=C(C=C2)C#N
| PubChem CID | 15486310 |
|---|---|
| CAS | 78322-96-0 |
| Molecular Weight (g/mol) | 181.198 |
| MDL Number | MFCD09817491 |
| SMILES | C1=CN=C(N=C1)C2=CC=C(C=C2)C#N |
| Synonym | 4-pyrimidin-2-yl benzonitrile,4-cyanophenyl pyrimidine,2-4-cyanophenyl pyrimidine,4-pyrimidin-2-yl-benzonitrile,4-2-pyrimidinyl benzonitrile,benzonitrile, 4-2-pyrimidinyl,4-pyrimidin-2-ylbenzenecarbonitrile |
| IUPAC Name | 4-pyrimidin-2-ylbenzonitrile |
| InChI Key | WGCKVXHOTDDNOA-UHFFFAOYSA-N |
| Molecular Formula | C11H7N3 |
3-Furanmethanol, 99%
CAS: 4412-91-3 Molecular Formula: C5H6O2 Molecular Weight (g/mol): 98.10 MDL Number: MFCD00005352 InChI Key: STJIISDMSMJQQK-UHFFFAOYSA-N Synonym: 3-furanmethanol,furan-3-methanol,3-furylmethanol,3-hydroxymethyl furan,3-furfuryl alcohol,3-hydroxymethylfuran,3-furyl alcohol,furan-3-yl-methanol,furan-3-yl methanol,3-hydroxymethyl-furan PubChem CID: 20449 IUPAC Name: furan-3-ylmethanol SMILES: OCC1=COC=C1
| PubChem CID | 20449 |
|---|---|
| CAS | 4412-91-3 |
| Molecular Weight (g/mol) | 98.10 |
| MDL Number | MFCD00005352 |
| SMILES | OCC1=COC=C1 |
| Synonym | 3-furanmethanol,furan-3-methanol,3-furylmethanol,3-hydroxymethyl furan,3-furfuryl alcohol,3-hydroxymethylfuran,3-furyl alcohol,furan-3-yl-methanol,furan-3-yl methanol,3-hydroxymethyl-furan |
| IUPAC Name | furan-3-ylmethanol |
| InChI Key | STJIISDMSMJQQK-UHFFFAOYSA-N |
| Molecular Formula | C5H6O2 |
2-Methylindole, 98+%
CAS: 95-20-5 Molecular Formula: C9H9N Molecular Weight (g/mol): 131.178 MDL Number: MFCD00005616 InChI Key: BHNHHSOHWZKFOX-UHFFFAOYSA-N Synonym: 2-methylindole,1h-indole, 2-methyl,indole, 2-methyl,2-methyl indole,unii-i7cn58827i,2-methylindol,methylketole,methyl indole,2-methyl-indole,pubchem7504 PubChem CID: 7224 ChEBI: CHEBI:49402 IUPAC Name: 2-methyl-1H-indole SMILES: CC1=CC2=CC=CC=C2N1
| PubChem CID | 7224 |
|---|---|
| CAS | 95-20-5 |
| Molecular Weight (g/mol) | 131.178 |
| ChEBI | CHEBI:49402 |
| MDL Number | MFCD00005616 |
| SMILES | CC1=CC2=CC=CC=C2N1 |
| Synonym | 2-methylindole,1h-indole, 2-methyl,indole, 2-methyl,2-methyl indole,unii-i7cn58827i,2-methylindol,methylketole,methyl indole,2-methyl-indole,pubchem7504 |
| IUPAC Name | 2-methyl-1H-indole |
| InChI Key | BHNHHSOHWZKFOX-UHFFFAOYSA-N |
| Molecular Formula | C9H9N |
3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carbonitrile, ≥97%, Thermo Scientific™
CAS: 23198-55-2 Molecular Formula: C12H11N3 Molecular Weight (g/mol): 197.241 MDL Number: MFCD08435888 InChI Key: WOFAIVGOIVCZJJ-UHFFFAOYSA-N Synonym: 3,5-dimethyl-1-phenyl-1h-pyrazole-4-carbonitrile,1h-pyrazole-4-carbonitrile,3,5-dimethyl-1-phenyl PubChem CID: 12208701 IUPAC Name: 3,5-dimethyl-1-phenylpyrazole-4-carbonitrile SMILES: CC1=C(C(=NN1C2=CC=CC=C2)C)C#N
| PubChem CID | 12208701 |
|---|---|
| CAS | 23198-55-2 |
| Molecular Weight (g/mol) | 197.241 |
| MDL Number | MFCD08435888 |
| SMILES | CC1=C(C(=NN1C2=CC=CC=C2)C)C#N |
| Synonym | 3,5-dimethyl-1-phenyl-1h-pyrazole-4-carbonitrile,1h-pyrazole-4-carbonitrile,3,5-dimethyl-1-phenyl |
| IUPAC Name | 3,5-dimethyl-1-phenylpyrazole-4-carbonitrile |
| InChI Key | WOFAIVGOIVCZJJ-UHFFFAOYSA-N |
| Molecular Formula | C12H11N3 |
1H-Benzimidazole-2-carboxylic acid hydrate, 90%, Thermo Scientific™
CAS: 849776-47-2 Molecular Formula: C8H8N2O3 Molecular Weight (g/mol): 180.163 InChI Key: YQHUUYLPOCNBKD-UHFFFAOYSA-N Synonym: 1h-benzo d imidazole-2-carboxylic acid hydrate,1h-benzimidazole-2-carboxylic acid hydrate,1h-benzimidazole-2-carboxylic acid monohydrate,benzimidazole-2-carboxylic acid monohydrate,1h-1,3-benzodiazole-2-carboxylic acid hydrate,1h-benzimidazole-2-carboxylicacid, hydrate 1:1,c8h6n2o2.h2o,2-carboxy-1h-benzimidazole hydrate,1h-benzimidazole-2-carboxylic acid-water 1/1 PubChem CID: 18525703 IUPAC Name: 1H-benzimidazole-2-carboxylic acid;hydrate SMILES: C1=CC=C2C(=C1)NC(=N2)C(=O)O.O
| PubChem CID | 18525703 |
|---|---|
| CAS | 849776-47-2 |
| Molecular Weight (g/mol) | 180.163 |
| SMILES | C1=CC=C2C(=C1)NC(=N2)C(=O)O.O |
| Synonym | 1h-benzo d imidazole-2-carboxylic acid hydrate,1h-benzimidazole-2-carboxylic acid hydrate,1h-benzimidazole-2-carboxylic acid monohydrate,benzimidazole-2-carboxylic acid monohydrate,1h-1,3-benzodiazole-2-carboxylic acid hydrate,1h-benzimidazole-2-carboxylicacid, hydrate 1:1,c8h6n2o2.h2o,2-carboxy-1h-benzimidazole hydrate,1h-benzimidazole-2-carboxylic acid-water 1/1 |
| IUPAC Name | 1H-benzimidazole-2-carboxylic acid;hydrate |
| InChI Key | YQHUUYLPOCNBKD-UHFFFAOYSA-N |
| Molecular Formula | C8H8N2O3 |
2-Mercaptothiazole, 97%
CAS: 82358-09-6 Molecular Formula: C3H3NS2 Molecular Weight (g/mol): 117.18 MDL Number: MFCD00022449 InChI Key: OCVLSHAVSIYKLI-UHFFFAOYSA-N Synonym: 2-mercaptothiazole,2 3h-thiazolethione,2-thiazolethiol,1,3-thiazole-2-thiol,thiazoline-2-thione,2-mercapto-1,3-thiazole,3h-thiazole-2-thione,thiazole-2-thiol,1,3-thiazole-2 3h-thione,.delta.4-thiazoline-2-thione PubChem CID: 1201387 SMILES: S=C1NC=CS1
| PubChem CID | 1201387 |
|---|---|
| CAS | 82358-09-6 |
| Molecular Weight (g/mol) | 117.18 |
| MDL Number | MFCD00022449 |
| SMILES | S=C1NC=CS1 |
| Synonym | 2-mercaptothiazole,2 3h-thiazolethione,2-thiazolethiol,1,3-thiazole-2-thiol,thiazoline-2-thione,2-mercapto-1,3-thiazole,3h-thiazole-2-thione,thiazole-2-thiol,1,3-thiazole-2 3h-thione,.delta.4-thiazoline-2-thione |
| InChI Key | OCVLSHAVSIYKLI-UHFFFAOYSA-N |
| Molecular Formula | C3H3NS2 |
Bis(tetraethylammonium) bis(2-thioxo-1,3-dithiole-4,5-dithiolato)zincate, 97%
CAS: 72022-68-5 Molecular Formula: C22H40N2S10Zn Molecular Weight (g/mol): 718.556 MDL Number: MFCD00623815 InChI Key: TXRIVAQWJHZFOT-UHFFFAOYSA-J Synonym: bis tetraethylammonium bis 2-thioxo-1,3-dithiole-4,5-dithiolato zincate PubChem CID: 15762389 IUPAC Name: zinc;2-sulfanylidene-1,3-dithiole-4,5-dithiolate;tetraethylazanium SMILES: CC[N+](CC)(CC)CC.CC[N+](CC)(CC)CC.C1(=C(SC(=S)S1)[S-])[S-].C1(=C(SC(=S)S1)[S-])[S-].[Zn+2]
| PubChem CID | 15762389 |
|---|---|
| CAS | 72022-68-5 |
| Molecular Weight (g/mol) | 718.556 |
| MDL Number | MFCD00623815 |
| SMILES | CC[N+](CC)(CC)CC.CC[N+](CC)(CC)CC.C1(=C(SC(=S)S1)[S-])[S-].C1(=C(SC(=S)S1)[S-])[S-].[Zn+2] |
| Synonym | bis tetraethylammonium bis 2-thioxo-1,3-dithiole-4,5-dithiolato zincate |
| IUPAC Name | zinc;2-sulfanylidene-1,3-dithiole-4,5-dithiolate;tetraethylazanium |
| InChI Key | TXRIVAQWJHZFOT-UHFFFAOYSA-J |
| Molecular Formula | C22H40N2S10Zn |
1-Phenyl-1H-tetrazole-5-thiol, 99%
CAS: 86-93-1 Molecular Formula: C7H6N4S Molecular Weight (g/mol): 178.21 MDL Number: MFCD00003129 InChI Key: GGZHVNZHFYCSEV-UHFFFAOYSA-N Synonym: 1-phenyl-1h-tetrazole-5-thiol,1-phenyltetrazole-5-thiol,1-phenyl-5-mercaptotetrazole,5-mercapto-1-phenyltetrazole,1-phenyltetrazoline-5-thione,mercaptophenyltetrazole,phenylmercaptotetrazole,1-phenyl-5-tetrazolethione,5-mercapto-1-phenyltetrazol,1-phenyltetrazole-thiol PubChem CID: 690730 ChEBI: CHEBI:79916 SMILES: S=C1N=NNN1C1=CC=CC=C1
| PubChem CID | 690730 |
|---|---|
| CAS | 86-93-1 |
| Molecular Weight (g/mol) | 178.21 |
| ChEBI | CHEBI:79916 |
| MDL Number | MFCD00003129 |
| SMILES | S=C1N=NNN1C1=CC=CC=C1 |
| Synonym | 1-phenyl-1h-tetrazole-5-thiol,1-phenyltetrazole-5-thiol,1-phenyl-5-mercaptotetrazole,5-mercapto-1-phenyltetrazole,1-phenyltetrazoline-5-thione,mercaptophenyltetrazole,phenylmercaptotetrazole,1-phenyl-5-tetrazolethione,5-mercapto-1-phenyltetrazol,1-phenyltetrazole-thiol |
| InChI Key | GGZHVNZHFYCSEV-UHFFFAOYSA-N |
| Molecular Formula | C7H6N4S |
4-(2-Furyl)-3-buten-2-one, cis + trans, 98%
CAS: 623-15-4 Molecular Formula: C8H8O2 Molecular Weight (g/mol): 136.15 MDL Number: MFCD00039566 InChI Key: GBKGJMYPQZODMI-SNAWJCMRSA-N Synonym: furfurylideneacetone,4-2-furyl-3-buten-2-one,3-buten-2-one, 4-2-furanyl,fam polymer,oramin r,furfural acetone,oramin special gr,furfuralacetone polymer,polyfurfurylidineacetone,furfuralacetone PubChem CID: 735940 IUPAC Name: (E)-4-(furan-2-yl)but-3-en-2-one SMILES: CC(=O)C=CC1=CC=CO1
| PubChem CID | 735940 |
|---|---|
| CAS | 623-15-4 |
| Molecular Weight (g/mol) | 136.15 |
| MDL Number | MFCD00039566 |
| SMILES | CC(=O)C=CC1=CC=CO1 |
| Synonym | furfurylideneacetone,4-2-furyl-3-buten-2-one,3-buten-2-one, 4-2-furanyl,fam polymer,oramin r,furfural acetone,oramin special gr,furfuralacetone polymer,polyfurfurylidineacetone,furfuralacetone |
| IUPAC Name | (E)-4-(furan-2-yl)but-3-en-2-one |
| InChI Key | GBKGJMYPQZODMI-SNAWJCMRSA-N |
| Molecular Formula | C8H8O2 |
3-Thien-2-ylbenzonitrile 97+%, Thermo Scientific™
CAS: 380626-35-7 Molecular Formula: C11H7NS Molecular Weight (g/mol): 185.24 MDL Number: MFCD02323389 InChI Key: DIILPQRSOQWSCU-UHFFFAOYSA-N Synonym: 3-thien-2-ylbenzonitrile,3-thiophen-2-yl benzonitrile,3-2-thienyl benzonitrile,3-thiophen-2-yl-benzonitrile,3-2-thienyl benzenecarbonitrile PubChem CID: 4645033 IUPAC Name: 3-thiophen-2-ylbenzonitrile SMILES: N#CC1=CC(=CC=C1)C1=CC=CS1
| PubChem CID | 4645033 |
|---|---|
| CAS | 380626-35-7 |
| Molecular Weight (g/mol) | 185.24 |
| MDL Number | MFCD02323389 |
| SMILES | N#CC1=CC(=CC=C1)C1=CC=CS1 |
| Synonym | 3-thien-2-ylbenzonitrile,3-thiophen-2-yl benzonitrile,3-2-thienyl benzonitrile,3-thiophen-2-yl-benzonitrile,3-2-thienyl benzenecarbonitrile |
| IUPAC Name | 3-thiophen-2-ylbenzonitrile |
| InChI Key | DIILPQRSOQWSCU-UHFFFAOYSA-N |
| Molecular Formula | C11H7NS |