Organoheterocyclic compounds
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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 |
1-Benzothiophen-5-amine, 97%, Thermo Scientific™
CAS: 20532-28-9 Molecular Formula: C8H7NS Molecular Weight (g/mol): 149.211 InChI Key: ZUPYTANKWDPRDP-UHFFFAOYSA-N Synonym: benzo b thiophen-5-amine,5-aminobenzothiophene,5-aminobenzo b thiophene,benzo b thiophen-5-ylamine,5-aminothionaphthene,benzothiophen-5-amine,1-benzothien-5-ylamine,5-amino-benzo b thiophene,benzo b thiophene-5-ylamine PubChem CID: 288032 IUPAC Name: 1-benzothiophen-5-amine SMILES: C1=CC2=C(C=CS2)C=C1N
| PubChem CID | 288032 |
|---|---|
| CAS | 20532-28-9 |
| Molecular Weight (g/mol) | 149.211 |
| SMILES | C1=CC2=C(C=CS2)C=C1N |
| Synonym | benzo b thiophen-5-amine,5-aminobenzothiophene,5-aminobenzo b thiophene,benzo b thiophen-5-ylamine,5-aminothionaphthene,benzothiophen-5-amine,1-benzothien-5-ylamine,5-amino-benzo b thiophene,benzo b thiophene-5-ylamine |
| IUPAC Name | 1-benzothiophen-5-amine |
| InChI Key | ZUPYTANKWDPRDP-UHFFFAOYSA-N |
| Molecular Formula | C8H7NS |
2-n-Heptylfuran, 97%
CAS: 3777-71-7 Molecular Formula: C11H18O Molecular Weight (g/mol): 166.264 MDL Number: MFCD00051820 InChI Key: BHTUFJXTYNLISA-UHFFFAOYSA-N Synonym: 2-n-heptylfuran,furan, 2-heptyl,unii-7w55a39qxm,ccris 6901,fema no. 3401,2-heptyl furan,furan, heptyl PubChem CID: 19603 IUPAC Name: 2-heptylfuran SMILES: CCCCCCCC1=CC=CO1
| PubChem CID | 19603 |
|---|---|
| CAS | 3777-71-7 |
| Molecular Weight (g/mol) | 166.264 |
| MDL Number | MFCD00051820 |
| SMILES | CCCCCCCC1=CC=CO1 |
| Synonym | 2-n-heptylfuran,furan, 2-heptyl,unii-7w55a39qxm,ccris 6901,fema no. 3401,2-heptyl furan,furan, heptyl |
| IUPAC Name | 2-heptylfuran |
| InChI Key | BHTUFJXTYNLISA-UHFFFAOYSA-N |
| Molecular Formula | C11H18O |
Pyrazine-2-carbonitrile, 97+%
CAS: 19847-12-2 Molecular Formula: C5H3N3 Molecular Weight (g/mol): 105.10 MDL Number: MFCD00049361 InChI Key: PMSVVUSIPKHUMT-UHFFFAOYSA-N Synonym: pyrazinecarbonitrile,2-cyanopyrazine,cyanopyrazine,2-pyrazinecarbonitrile,pyrazinenitrile,pyrazinonitrile,2-cyanopyarine,2-cyano pyrazine PubChem CID: 73172 ChEBI: CHEBI:3982 IUPAC Name: pyrazine-2-carbonitrile SMILES: N#CC1=CN=CC=N1
| PubChem CID | 73172 |
|---|---|
| CAS | 19847-12-2 |
| Molecular Weight (g/mol) | 105.10 |
| ChEBI | CHEBI:3982 |
| MDL Number | MFCD00049361 |
| SMILES | N#CC1=CN=CC=N1 |
| Synonym | pyrazinecarbonitrile,2-cyanopyrazine,cyanopyrazine,2-pyrazinecarbonitrile,pyrazinenitrile,pyrazinonitrile,2-cyanopyarine,2-cyano pyrazine |
| IUPAC Name | pyrazine-2-carbonitrile |
| InChI Key | PMSVVUSIPKHUMT-UHFFFAOYSA-N |
| Molecular Formula | C5H3N3 |
3-Furonitrile, 98%
CAS: 30078-65-0 Molecular Formula: C5H3NO Molecular Weight (g/mol): 93.085 MDL Number: MFCD00067042 InChI Key: ZQFYJHMUAWCEBH-UHFFFAOYSA-N Synonym: 3-furonitrile,3-furancarbonitrile,3-cyanofuran,3-furancarbonitrile 9ci,3-furonitrile 8ci,acmc-1cj8r PubChem CID: 100698 IUPAC Name: furan-3-carbonitrile SMILES: C1=COC=C1C#N
| PubChem CID | 100698 |
|---|---|
| CAS | 30078-65-0 |
| Molecular Weight (g/mol) | 93.085 |
| MDL Number | MFCD00067042 |
| SMILES | C1=COC=C1C#N |
| Synonym | 3-furonitrile,3-furancarbonitrile,3-cyanofuran,3-furancarbonitrile 9ci,3-furonitrile 8ci,acmc-1cj8r |
| IUPAC Name | furan-3-carbonitrile |
| InChI Key | ZQFYJHMUAWCEBH-UHFFFAOYSA-N |
| Molecular Formula | C5H3NO |
2,4,6-Tripyridyl-S-triazine, 101.0%, MP Biomedicals™
CAS: 3682-35-7 Molecular Formula: C18H12N6 Molecular Weight (g/mol): 312.34 MDL Number: MFCD00006045 InChI Key: KMVWNDHKTPHDMT-UHFFFAOYSA-N Synonym: 2,4,6-tripyridyl-s-triazine,2,4,6-tris 2-pyridyl-s-triazine,2,4,6-tri 2-pyridyl-1,3,5-triazine,terpyridyl-s-triazine,2,4,6-tri 2-pyridyl-s-triazine,tptz iron reagent,1,3,5-triazine, 2,4,6-tri-2-pyridinyl,tri-2-pyridyl-s-triazine,s-triazine, tri-2-pyridyl,2,4,6-tris 2-pyridyl-1,3,5-triazine PubChem CID: 77258 IUPAC Name: tris(pyridin-2-yl)-1,3,5-triazine SMILES: C1=CC=C(N=C1)C1=NC(=NC(=N1)C1=CC=CC=N1)C1=CC=CC=N1
| PubChem CID | 77258 |
|---|---|
| CAS | 3682-35-7 |
| Molecular Weight (g/mol) | 312.34 |
| MDL Number | MFCD00006045 |
| SMILES | C1=CC=C(N=C1)C1=NC(=NC(=N1)C1=CC=CC=N1)C1=CC=CC=N1 |
| Synonym | 2,4,6-tripyridyl-s-triazine,2,4,6-tris 2-pyridyl-s-triazine,2,4,6-tri 2-pyridyl-1,3,5-triazine,terpyridyl-s-triazine,2,4,6-tri 2-pyridyl-s-triazine,tptz iron reagent,1,3,5-triazine, 2,4,6-tri-2-pyridinyl,tri-2-pyridyl-s-triazine,s-triazine, tri-2-pyridyl,2,4,6-tris 2-pyridyl-1,3,5-triazine |
| IUPAC Name | tris(pyridin-2-yl)-1,3,5-triazine |
| InChI Key | KMVWNDHKTPHDMT-UHFFFAOYSA-N |
| Molecular Formula | C18H12N6 |
Benzimidazole, 98%
CAS: 51-17-2 Molecular Formula: C7H6N2 Molecular Weight (g/mol): 118.14 MDL Number: MFCD00005585 InChI Key: HYZJCKYKOHLVJF-UHFFFAOYSA-N Synonym: benzimidazole,1h-benzo d imidazole,1,3-benzodiazole,benzoimidazole,o-benzimidazole,3-azaindole,benziminazole,benzoglyoxaline,azindole,1,3-diazaindene PubChem CID: 5798 ChEBI: CHEBI:41275 IUPAC Name: 1H-benzimidazole SMILES: N1C=NC2=CC=CC=C12
| PubChem CID | 5798 |
|---|---|
| CAS | 51-17-2 |
| Molecular Weight (g/mol) | 118.14 |
| ChEBI | CHEBI:41275 |
| MDL Number | MFCD00005585 |
| SMILES | N1C=NC2=CC=CC=C12 |
| Synonym | benzimidazole,1h-benzo d imidazole,1,3-benzodiazole,benzoimidazole,o-benzimidazole,3-azaindole,benziminazole,benzoglyoxaline,azindole,1,3-diazaindene |
| IUPAC Name | 1H-benzimidazole |
| InChI Key | HYZJCKYKOHLVJF-UHFFFAOYSA-N |
| Molecular Formula | C7H6N2 |
5-Methyl-2-(trifluoromethyl)-3-furansulfonyl chloride, 97%, Thermo Scientific™
CAS: 306935-02-4 Molecular Formula: C6H4ClF3O3S Molecular Weight (g/mol): 248.6 InChI Key: GSYXWDYWBRICSD-UHFFFAOYSA-N Synonym: 5-methyl-2-trifluoromethyl furan-3-sulfonyl chloride,5-methyl-2-trifluoromethyl-3-furansulfonyl chloride,3-furansulfonylchloride, 5-methyl-2-trifluoromethyl,5-methyl-2-trifluoromethyl furan-3-sulphonyl chloride,5-methyl-2-trifluoromethyl-3-furansulfonylchloride,5-methyl-2-trifluoromethyl-furan-3-sulfonyl chloride,chloro 5-methyl-2-trifluoromethyl 3-furyl sulfone,3-furansulfonyl chloride, 5-methyl-2-trifluoromethyl-9ci PubChem CID: 2779895 IUPAC Name: 5-methyl-2-(trifluoromethyl)furan-3-sulfonyl chloride SMILES: CC1=CC(=C(O1)C(F)(F)F)S(=O)(=O)Cl
| PubChem CID | 2779895 |
|---|---|
| CAS | 306935-02-4 |
| Molecular Weight (g/mol) | 248.6 |
| SMILES | CC1=CC(=C(O1)C(F)(F)F)S(=O)(=O)Cl |
| Synonym | 5-methyl-2-trifluoromethyl furan-3-sulfonyl chloride,5-methyl-2-trifluoromethyl-3-furansulfonyl chloride,3-furansulfonylchloride, 5-methyl-2-trifluoromethyl,5-methyl-2-trifluoromethyl furan-3-sulphonyl chloride,5-methyl-2-trifluoromethyl-3-furansulfonylchloride,5-methyl-2-trifluoromethyl-furan-3-sulfonyl chloride,chloro 5-methyl-2-trifluoromethyl 3-furyl sulfone,3-furansulfonyl chloride, 5-methyl-2-trifluoromethyl-9ci |
| IUPAC Name | 5-methyl-2-(trifluoromethyl)furan-3-sulfonyl chloride |
| InChI Key | GSYXWDYWBRICSD-UHFFFAOYSA-N |
| Molecular Formula | C6H4ClF3O3S |
4-(3,5-Dimethyl-1H-pyrazol-1-yl)benzonitrile, 97%, Thermo Scientific™
CAS: 56935-79-6 Molecular Formula: C12H11N3 Molecular Weight (g/mol): 197.241 MDL Number: MFCD09817559 InChI Key: BTXLPDNFEZIQBZ-UHFFFAOYSA-N Synonym: 4-3,5-dimethyl-1h-pyrazol-1-yl benzonitrile,4-3,5-dimethylpyrazol-1-yl benzonitrile,acmc-209luz,4-3,5-dimethylpyrazol-1-yl-benzonitrile,4-3,5-dimethylpyrazolyl benzenecarbonitrile,1-4-cyanophenyl-3,5-dimethyl-1h-pyrazole,benzonitrile, 4-3,5-dimethyl-1h-pyrazol-1-yl PubChem CID: 15005387 IUPAC Name: 4-(3,5-dimethylpyrazol-1-yl)benzonitrile SMILES: CC1=CC(=NN1C2=CC=C(C=C2)C#N)C
| PubChem CID | 15005387 |
|---|---|
| CAS | 56935-79-6 |
| Molecular Weight (g/mol) | 197.241 |
| MDL Number | MFCD09817559 |
| SMILES | CC1=CC(=NN1C2=CC=C(C=C2)C#N)C |
| Synonym | 4-3,5-dimethyl-1h-pyrazol-1-yl benzonitrile,4-3,5-dimethylpyrazol-1-yl benzonitrile,acmc-209luz,4-3,5-dimethylpyrazol-1-yl-benzonitrile,4-3,5-dimethylpyrazolyl benzenecarbonitrile,1-4-cyanophenyl-3,5-dimethyl-1h-pyrazole,benzonitrile, 4-3,5-dimethyl-1h-pyrazol-1-yl |
| IUPAC Name | 4-(3,5-dimethylpyrazol-1-yl)benzonitrile |
| InChI Key | BTXLPDNFEZIQBZ-UHFFFAOYSA-N |
| Molecular Formula | C12H11N3 |
Phthalazine, 98%
CAS: 253-52-1 Molecular Formula: C8H6N2 Molecular Weight (g/mol): 130.15 MDL Number: MFCD00006908 InChI Key: LFSXCDWNBUNEEM-UHFFFAOYSA-N Synonym: 2,3-benzodiazine,benzo d pyridazine,2,3-diazanaphthalene,beta-phenodiazine,.beta.-phenodiazine,unii-91y28dm24n,ccris 6894,phthalazin,benzo-orthodiazine PubChem CID: 9207 ChEBI: CHEBI:36597 IUPAC Name: phthalazine SMILES: C1=CC=C2C=NN=CC2=C1
| PubChem CID | 9207 |
|---|---|
| CAS | 253-52-1 |
| Molecular Weight (g/mol) | 130.15 |
| ChEBI | CHEBI:36597 |
| MDL Number | MFCD00006908 |
| SMILES | C1=CC=C2C=NN=CC2=C1 |
| Synonym | 2,3-benzodiazine,benzo d pyridazine,2,3-diazanaphthalene,beta-phenodiazine,.beta.-phenodiazine,unii-91y28dm24n,ccris 6894,phthalazin,benzo-orthodiazine |
| IUPAC Name | phthalazine |
| InChI Key | LFSXCDWNBUNEEM-UHFFFAOYSA-N |
| Molecular Formula | C8H6N2 |
2,5-Dimethylindole, 97%
CAS: 1196-79-8 Molecular Formula: C10H11N Molecular Weight (g/mol): 145.205 MDL Number: MFCD00005621 InChI Key: ZFLFWZRPMDXJCW-UHFFFAOYSA-N Synonym: 2,5-dimethylindole,1h-indole, 2,5-dimethyl,indole, 2,5-dimethyl,unii-etu94v283m,2,5-dimethyl indole,pubchem7330,acmc-1bvpm PubChem CID: 70965 IUPAC Name: 2,5-dimethyl-1H-indole SMILES: CC1=CC2=C(C=C1)NC(=C2)C
| PubChem CID | 70965 |
|---|---|
| CAS | 1196-79-8 |
| Molecular Weight (g/mol) | 145.205 |
| MDL Number | MFCD00005621 |
| SMILES | CC1=CC2=C(C=C1)NC(=C2)C |
| Synonym | 2,5-dimethylindole,1h-indole, 2,5-dimethyl,indole, 2,5-dimethyl,unii-etu94v283m,2,5-dimethyl indole,pubchem7330,acmc-1bvpm |
| IUPAC Name | 2,5-dimethyl-1H-indole |
| InChI Key | ZFLFWZRPMDXJCW-UHFFFAOYSA-N |
| Molecular Formula | C10H11N |
1-Benzothiophene-5-carbonitrile, ≥95%, Thermo Scientific™
CAS: 2060-63-1 Molecular Formula: C9H5NS Molecular Weight (g/mol): 159.21 MDL Number: MFCD05664404 InChI Key: IPJUOWGTGHKFKN-UHFFFAOYSA-N Synonym: benzo b thiophene-5-carbonitrile,5-cyanobenzothiophene,pubchem9722,5-thionaphthenecarbonitrile,benzo thiophene-5-carbonitrile,benzo,a thiophene-5-carbonitrile,benzothiophene-5-carbonitrile,1-benzo b thiophene-5-carbonitrile PubChem CID: 2795452 IUPAC Name: 1-benzothiophene-5-carbonitrile SMILES: N#CC1=CC=C2SC=CC2=C1
| PubChem CID | 2795452 |
|---|---|
| CAS | 2060-63-1 |
| Molecular Weight (g/mol) | 159.21 |
| MDL Number | MFCD05664404 |
| SMILES | N#CC1=CC=C2SC=CC2=C1 |
| Synonym | benzo b thiophene-5-carbonitrile,5-cyanobenzothiophene,pubchem9722,5-thionaphthenecarbonitrile,benzo thiophene-5-carbonitrile,benzo,a thiophene-5-carbonitrile,benzothiophene-5-carbonitrile,1-benzo b thiophene-5-carbonitrile |
| IUPAC Name | 1-benzothiophene-5-carbonitrile |
| InChI Key | IPJUOWGTGHKFKN-UHFFFAOYSA-N |
| Molecular Formula | C9H5NS |
2-n-Hexylfuran, 97%
CAS: 3777-70-6 Molecular Formula: C10H16O Molecular Weight (g/mol): 152.237 MDL Number: MFCD00053134 InChI Key: XBLCAKKYMZVLPU-UHFFFAOYSA-N Synonym: 2-n-hexylfuran,furan, 2-hexyl,2-hexyl-furan,acmc-1clja PubChem CID: 77408 IUPAC Name: 2-hexylfuran SMILES: CCCCCCC1=CC=CO1
| PubChem CID | 77408 |
|---|---|
| CAS | 3777-70-6 |
| Molecular Weight (g/mol) | 152.237 |
| MDL Number | MFCD00053134 |
| SMILES | CCCCCCC1=CC=CO1 |
| Synonym | 2-n-hexylfuran,furan, 2-hexyl,2-hexyl-furan,acmc-1clja |
| IUPAC Name | 2-hexylfuran |
| InChI Key | XBLCAKKYMZVLPU-UHFFFAOYSA-N |
| Molecular Formula | C10H16O |
Pyridinium p-toluenesulfonate, 98+%
CAS: 24057-28-1 Molecular Formula: C12H13NO3S MDL Number: MFCD00013108 Synonym: pyridinium p-toluenesulfonate,ppts,pyridin-1-ium 4-methylbenzenesulfonate,pyridinium 4-toluenesulfonate,pyridinium tosylate,pyridinium 4-methylbenzenesulfonate,pyridinium p-toluene sulfonate,pyridinium p-toluene sulphonate,pyridinium para-toluenesulfonate,4-toluenesulfonic acid pyridine salt
| CAS | 24057-28-1 |
|---|---|
| MDL Number | MFCD00013108 |
| Synonym | pyridinium p-toluenesulfonate,ppts,pyridin-1-ium 4-methylbenzenesulfonate,pyridinium 4-toluenesulfonate,pyridinium tosylate,pyridinium 4-methylbenzenesulfonate,pyridinium p-toluene sulfonate,pyridinium p-toluene sulphonate,pyridinium para-toluenesulfonate,4-toluenesulfonic acid pyridine salt |
| Molecular Formula | C12H13NO3S |
2-Ethylimidazole, 98%
CAS: 1072-62-4 Molecular Formula: C5H8N2 Molecular Weight (g/mol): 96.13 MDL Number: MFCD00005192 InChI Key: PQAMFDRRWURCFQ-UHFFFAOYSA-N Synonym: 2-ethylimidazole,1h-imidazole, 2-ethyl,imidazole, 2-ethyl,2-ethylimidazole 98+%,2ez,2-ethylimdazole,2-ethyl imidazole,2-ethyl-imidazole,pubchem15972 PubChem CID: 66130 IUPAC Name: 2-ethyl-1H-imidazole SMILES: CCC1=NC=CN1
| PubChem CID | 66130 |
|---|---|
| CAS | 1072-62-4 |
| Molecular Weight (g/mol) | 96.13 |
| MDL Number | MFCD00005192 |
| SMILES | CCC1=NC=CN1 |
| Synonym | 2-ethylimidazole,1h-imidazole, 2-ethyl,imidazole, 2-ethyl,2-ethylimidazole 98+%,2ez,2-ethylimdazole,2-ethyl imidazole,2-ethyl-imidazole,pubchem15972 |
| IUPAC Name | 2-ethyl-1H-imidazole |
| InChI Key | PQAMFDRRWURCFQ-UHFFFAOYSA-N |
| Molecular Formula | C5H8N2 |