Organoheterocyclic compounds
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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 |
Pyrimidine, 98+%
CAS: 289-95-2 Molecular Formula: C4H4N2 Molecular Weight (g/mol): 80.09 MDL Number: MFCD00006059 InChI Key: CZPWVGJYEJSRLH-UHFFFAOYSA-N Synonym: 1,3-diazine,metadiazine,m-diazine,miazine,1,3-diazabenzene,base,1,3-diazin,pyrimidin,unii-k8cxk5q32l,k8cxk5q32l PubChem CID: 9260 ChEBI: CHEBI:16898 IUPAC Name: pyrimidine SMILES: C1=CN=CN=C1
| PubChem CID | 9260 |
|---|---|
| CAS | 289-95-2 |
| Molecular Weight (g/mol) | 80.09 |
| ChEBI | CHEBI:16898 |
| MDL Number | MFCD00006059 |
| SMILES | C1=CN=CN=C1 |
| Synonym | 1,3-diazine,metadiazine,m-diazine,miazine,1,3-diazabenzene,base,1,3-diazin,pyrimidin,unii-k8cxk5q32l,k8cxk5q32l |
| IUPAC Name | pyrimidine |
| InChI Key | CZPWVGJYEJSRLH-UHFFFAOYSA-N |
| Molecular Formula | C4H4N2 |
Benzimidazole-6-carbonitrile, 97%, Thermo Scientific Chemicals
CAS: 6287-83-8 Molecular Formula: C8H5N3 Molecular Weight (g/mol): 143.15 MDL Number: MFCD06809988 InChI Key: NICYTXJGZRYCEQ-UHFFFAOYSA-N Synonym: 1h-benzimidazole-5-carbonitrile,1h-benzo d imidazole-6-carbonitrile,1h-1,3-benzodiazole-5-carbonitrile,1h-benzo d imidazole-5-carbonitrile,5-cyanobenzimidazole,1h-benzimidazole-6-carbonitrile,5-benzimidazolecarbonitrile,benzimidazole-5-carbonitrile,1h-benzoimidazole-5-carbonitrile,3h-1,3-benzodiazole-5-carbonitrile PubChem CID: 223906 IUPAC Name: 1H-1,3-benzodiazole-6-carbonitrile SMILES: N#CC1=CC=C2N=CNC2=C1
| PubChem CID | 223906 |
|---|---|
| CAS | 6287-83-8 |
| Molecular Weight (g/mol) | 143.15 |
| MDL Number | MFCD06809988 |
| SMILES | N#CC1=CC=C2N=CNC2=C1 |
| Synonym | 1h-benzimidazole-5-carbonitrile,1h-benzo d imidazole-6-carbonitrile,1h-1,3-benzodiazole-5-carbonitrile,1h-benzo d imidazole-5-carbonitrile,5-cyanobenzimidazole,1h-benzimidazole-6-carbonitrile,5-benzimidazolecarbonitrile,benzimidazole-5-carbonitrile,1h-benzoimidazole-5-carbonitrile,3h-1,3-benzodiazole-5-carbonitrile |
| IUPAC Name | 1H-1,3-benzodiazole-6-carbonitrile |
| InChI Key | NICYTXJGZRYCEQ-UHFFFAOYSA-N |
| Molecular Formula | C8H5N3 |
2-Pyridinesulfonylacetonitrile, 98%
CAS: 170449-34-0 Molecular Formula: C7H6N2O2S Molecular Weight (g/mol): 182.197 MDL Number: MFCD00041443 InChI Key: SAKACXZDAJXBCI-UHFFFAOYSA-N Synonym: 2-pyridinesulfonylacetonitrile,2-pyridinesulphonylacetonitrile,2-pyridin-2-ylsulfonyl acetonitrile,pyridine-2-sulfonylacetonitrile,2-pyridine-2-sulfonyl acetonitrile,pyridin-2-ylsulfonyl acetonitrile,2-2-pyridylsulfonyl ethanenitrile,maybridge1_004727,acmc-1c3jt,2-pyridinesulfonlyacetonitrile PubChem CID: 519355 IUPAC Name: 2-pyridin-2-ylsulfonylacetonitrile SMILES: C1=CC=NC(=C1)S(=O)(=O)CC#N
| PubChem CID | 519355 |
|---|---|
| CAS | 170449-34-0 |
| Molecular Weight (g/mol) | 182.197 |
| MDL Number | MFCD00041443 |
| SMILES | C1=CC=NC(=C1)S(=O)(=O)CC#N |
| Synonym | 2-pyridinesulfonylacetonitrile,2-pyridinesulphonylacetonitrile,2-pyridin-2-ylsulfonyl acetonitrile,pyridine-2-sulfonylacetonitrile,2-pyridine-2-sulfonyl acetonitrile,pyridin-2-ylsulfonyl acetonitrile,2-2-pyridylsulfonyl ethanenitrile,maybridge1_004727,acmc-1c3jt,2-pyridinesulfonlyacetonitrile |
| IUPAC Name | 2-pyridin-2-ylsulfonylacetonitrile |
| InChI Key | SAKACXZDAJXBCI-UHFFFAOYSA-N |
| Molecular Formula | C7H6N2O2S |
Isoquinoline, 97%
CAS: 119-65-3 Molecular Formula: C9H7N Molecular Weight (g/mol): 129.16 MDL Number: MFCD00006898,MFCD31699977 InChI Key: AWJUIBRHMBBTKR-UHFFFAOYSA-N Synonym: 2-azanaphthalene,2-benzazine,isochinolin,benzo c pyridine,beta-quinoline,2-benzanine,3,4-benzopyridine,.beta.-quinoline,isochinolin czech PubChem CID: 8405 ChEBI: CHEBI:16092 IUPAC Name: isoquinoline SMILES: C1=CC=C2C=NC=CC2=C1
| PubChem CID | 8405 |
|---|---|
| CAS | 119-65-3 |
| Molecular Weight (g/mol) | 129.16 |
| ChEBI | CHEBI:16092 |
| MDL Number | MFCD00006898,MFCD31699977 |
| SMILES | C1=CC=C2C=NC=CC2=C1 |
| Synonym | 2-azanaphthalene,2-benzazine,isochinolin,benzo c pyridine,beta-quinoline,2-benzanine,3,4-benzopyridine,.beta.-quinoline,isochinolin czech |
| IUPAC Name | isoquinoline |
| InChI Key | AWJUIBRHMBBTKR-UHFFFAOYSA-N |
| Molecular Formula | C9H7N |
3,4-Dimethylthiophene, 97%
CAS: 632-15-5 Molecular Formula: C6H8S Molecular Weight (g/mol): 112.19 MDL Number: MFCD01764731 InChI Key: GPSFYJDZKSRMKZ-UHFFFAOYSA-N PubChem CID: 79089 IUPAC Name: 3,4-dimethylthiophene SMILES: CC1=CSC=C1C
| PubChem CID | 79089 |
|---|---|
| CAS | 632-15-5 |
| Molecular Weight (g/mol) | 112.19 |
| MDL Number | MFCD01764731 |
| SMILES | CC1=CSC=C1C |
| IUPAC Name | 3,4-dimethylthiophene |
| InChI Key | GPSFYJDZKSRMKZ-UHFFFAOYSA-N |
| Molecular Formula | C6H8S |
2-(2-Thienyl)pyridine, 97%
CAS: 3319-99-1 Molecular Formula: C9H7NS Molecular Weight (g/mol): 161.22 MDL Number: MFCD00044441 InChI Key: QLPKTAFPRRIFQX-UHFFFAOYSA-N Synonym: 2-2-thienyl pyridine,2-thiophen-2-yl pyridine,2-thien-2-ylpyridine,2-2-pyridyl thiophene,pyridine, 2-2-thienyl,thienyl pyridine,2-thienylpyridine,2-pyrid-2-ylthiophene,acmc-1cknd,2-thien-2-yl pyridine PubChem CID: 76832 IUPAC Name: 2-thiophen-2-ylpyridine SMILES: S1C=CC=C1C1=CC=CC=N1
| PubChem CID | 76832 |
|---|---|
| CAS | 3319-99-1 |
| Molecular Weight (g/mol) | 161.22 |
| MDL Number | MFCD00044441 |
| SMILES | S1C=CC=C1C1=CC=CC=N1 |
| Synonym | 2-2-thienyl pyridine,2-thiophen-2-yl pyridine,2-thien-2-ylpyridine,2-2-pyridyl thiophene,pyridine, 2-2-thienyl,thienyl pyridine,2-thienylpyridine,2-pyrid-2-ylthiophene,acmc-1cknd,2-thien-2-yl pyridine |
| IUPAC Name | 2-thiophen-2-ylpyridine |
| InChI Key | QLPKTAFPRRIFQX-UHFFFAOYSA-N |
| Molecular Formula | C9H7NS |
7-Ethylindole, 98+%
CAS: 22867-74-9 Molecular Formula: C10H11N Molecular Weight (g/mol): 145.21 MDL Number: MFCD00143514 InChI Key: PIIZLMYXLGYWTN-UHFFFAOYSA-N Synonym: 7-ethylindole,1h-indole, 7-ethyl,7-ethyl indole,pubchem7338,acmc-1cfby,7-ethylindole gc PubChem CID: 2724711 IUPAC Name: 7-ethyl-1H-indole SMILES: CCC1=C2NC=CC2=CC=C1
| PubChem CID | 2724711 |
|---|---|
| CAS | 22867-74-9 |
| Molecular Weight (g/mol) | 145.21 |
| MDL Number | MFCD00143514 |
| SMILES | CCC1=C2NC=CC2=CC=C1 |
| Synonym | 7-ethylindole,1h-indole, 7-ethyl,7-ethyl indole,pubchem7338,acmc-1cfby,7-ethylindole gc |
| IUPAC Name | 7-ethyl-1H-indole |
| InChI Key | PIIZLMYXLGYWTN-UHFFFAOYSA-N |
| Molecular Formula | C10H11N |
Phenazine, 99.2%, MP Biomedicals™
CAS: 92-82-0 Molecular Formula: C12H8N2 Molecular Weight (g/mol): 180.21 InChI Key: PCNDJXKNXGMECE-UHFFFAOYSA-N Synonym: dibenzopyrazine,azophenylene,dibenzoparadiazine,acridizine,9,10-diazaanthracene,dibenzo-p-diazine,unii-2jhr6k463w,phenazine,dibenzo b,e pyrazine,acmc-209rhs PubChem CID: 4757 ChEBI: CHEBI:36674 IUPAC Name: phenazine SMILES: C1=CC=C2C(=C1)N=C3C=CC=CC3=N2
| PubChem CID | 4757 |
|---|---|
| CAS | 92-82-0 |
| Molecular Weight (g/mol) | 180.21 |
| ChEBI | CHEBI:36674 |
| SMILES | C1=CC=C2C(=C1)N=C3C=CC=CC3=N2 |
| Synonym | dibenzopyrazine,azophenylene,dibenzoparadiazine,acridizine,9,10-diazaanthracene,dibenzo-p-diazine,unii-2jhr6k463w,phenazine,dibenzo b,e pyrazine,acmc-209rhs |
| IUPAC Name | phenazine |
| InChI Key | PCNDJXKNXGMECE-UHFFFAOYSA-N |
| Molecular Formula | C12H8N2 |
3-(2-Thienyl)propanoic acid, 98%
CAS: 5928-51-8 Molecular Formula: C7H8O2S Molecular Weight (g/mol): 156.2 MDL Number: MFCD00047093 InChI Key: MJPVYTKZYZPIQA-UHFFFAOYSA-N Synonym: 3-2-thienyl propanoic acid,3-2-thienyl propionic acid,2-thiophenepropanoic acid,3-thiophen-2-yl propanoic acid,2-thiophenepropionic acid,maybridge3_005592,3-2-thienyl propionic pound inverted question markacid,3-thiophen-2-yl-propionic acid,thiolpropionic acid,pubchem23928 PubChem CID: 703169 IUPAC Name: 3-thiophen-2-ylpropanoic acid SMILES: C1=CSC(=C1)CCC(=O)O
| PubChem CID | 703169 |
|---|---|
| CAS | 5928-51-8 |
| Molecular Weight (g/mol) | 156.2 |
| MDL Number | MFCD00047093 |
| SMILES | C1=CSC(=C1)CCC(=O)O |
| Synonym | 3-2-thienyl propanoic acid,3-2-thienyl propionic acid,2-thiophenepropanoic acid,3-thiophen-2-yl propanoic acid,2-thiophenepropionic acid,maybridge3_005592,3-2-thienyl propionic pound inverted question markacid,3-thiophen-2-yl-propionic acid,thiolpropionic acid,pubchem23928 |
| IUPAC Name | 3-thiophen-2-ylpropanoic acid |
| InChI Key | MJPVYTKZYZPIQA-UHFFFAOYSA-N |
| Molecular Formula | C7H8O2S |
5-Methyl-2-(trifluoromethyl)-3-furyl isocyanate, 97%, Thermo Scientific™
CAS: 306935-03-5 Molecular Formula: C7H4F3NO2 Molecular Weight (g/mol): 191.109 InChI Key: WTKWFNIIIXNTDO-UHFFFAOYSA-N Synonym: 5-methyl-2-trifluoromethyl-3-furyl isocyanate,3-isocyanato-5-methyl-2-trifluoromethyl furan,furan,3-isocyanato-5-methyl-2-trifluoromethyl,5-methyl-2-trifluoromethyl fur-3-yl isocyanate,3-isocyanato-5-methyl-2-trifluoromethyl-furan,5-methyl-2-trifluoromethyl-3-furylisocyanate,5-methyl-2-trifluoromethyl furan-3-isocyanate,furan, 3-isocyanato-5-methyl-2-trifluoromethyl-9ci PubChem CID: 2779896 IUPAC Name: 3-isocyanato-5-methyl-2-(trifluoromethyl)furan SMILES: CC1=CC(=C(O1)C(F)(F)F)N=C=O
| PubChem CID | 2779896 |
|---|---|
| CAS | 306935-03-5 |
| Molecular Weight (g/mol) | 191.109 |
| SMILES | CC1=CC(=C(O1)C(F)(F)F)N=C=O |
| Synonym | 5-methyl-2-trifluoromethyl-3-furyl isocyanate,3-isocyanato-5-methyl-2-trifluoromethyl furan,furan,3-isocyanato-5-methyl-2-trifluoromethyl,5-methyl-2-trifluoromethyl fur-3-yl isocyanate,3-isocyanato-5-methyl-2-trifluoromethyl-furan,5-methyl-2-trifluoromethyl-3-furylisocyanate,5-methyl-2-trifluoromethyl furan-3-isocyanate,furan, 3-isocyanato-5-methyl-2-trifluoromethyl-9ci |
| IUPAC Name | 3-isocyanato-5-methyl-2-(trifluoromethyl)furan |
| InChI Key | WTKWFNIIIXNTDO-UHFFFAOYSA-N |
| Molecular Formula | C7H4F3NO2 |
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 |
2-Thiopheneboronic acid, 97%
CAS: 6165-68-0 Molecular Formula: C4H5BO2S Molecular Weight (g/mol): 127.95 MDL Number: MFCD00151850 InChI Key: ARYHTUPFQTUBBG-UHFFFAOYSA-N Synonym: thiophene-2-boronic acid,2-thiopheneboronic acid,2-thienylboronic acid,thienylboronic acid,2-thiopheneboronicacid,thiophen-2-ylboranediol,thiophene2-boronic acid,thiophen-2-yl boronic acid,2-thiophenylboric acid,boronic acid, thienyl PubChem CID: 2733960 IUPAC Name: thiophen-2-ylboronic acid SMILES: OB(O)C1=CC=CS1
| PubChem CID | 2733960 |
|---|---|
| CAS | 6165-68-0 |
| Molecular Weight (g/mol) | 127.95 |
| MDL Number | MFCD00151850 |
| SMILES | OB(O)C1=CC=CS1 |
| Synonym | thiophene-2-boronic acid,2-thiopheneboronic acid,2-thienylboronic acid,thienylboronic acid,2-thiopheneboronicacid,thiophen-2-ylboranediol,thiophene2-boronic acid,thiophen-2-yl boronic acid,2-thiophenylboric acid,boronic acid, thienyl |
| IUPAC Name | thiophen-2-ylboronic acid |
| InChI Key | ARYHTUPFQTUBBG-UHFFFAOYSA-N |
| Molecular Formula | C4H5BO2S |
5-Azabenzimidazole, 97%
CAS: 272-97-9 Molecular Formula: C6H5N3 Molecular Weight (g/mol): 119.13 MDL Number: MFCD00051808 InChI Key: UBOOKRVGOBKDMM-UHFFFAOYSA-N Synonym: 3h-imidazo 4,5-c pyridine,1h-imidazo 4,5-c pyridine,5-azabenzimidazole,3,5-diazaindole,5h-imidazo 4,5-c pyridine,imidazo 4,5-c pyridine,5-aza-1h-benzoimidazole,5-aza-benzimidazole PubChem CID: 9227 IUPAC Name: 3H-imidazo[4,5-c]pyridine SMILES: N1C=NC2=CC=NC=C12
| PubChem CID | 9227 |
|---|---|
| CAS | 272-97-9 |
| Molecular Weight (g/mol) | 119.13 |
| MDL Number | MFCD00051808 |
| SMILES | N1C=NC2=CC=NC=C12 |
| Synonym | 3h-imidazo 4,5-c pyridine,1h-imidazo 4,5-c pyridine,5-azabenzimidazole,3,5-diazaindole,5h-imidazo 4,5-c pyridine,imidazo 4,5-c pyridine,5-aza-1h-benzoimidazole,5-aza-benzimidazole |
| IUPAC Name | 3H-imidazo[4,5-c]pyridine |
| InChI Key | UBOOKRVGOBKDMM-UHFFFAOYSA-N |
| Molecular Formula | C6H5N3 |
Isothiazole, 97%, Thermo Scientific Chemicals
CAS: 288-16-4 Molecular Formula: C3H3NS Molecular Weight (g/mol): 85.13 InChI Key: ZLTPDFXIESTBQG-UHFFFAOYSA-N Synonym: isothiazole,2-azathiophene,1,2-thiazol,isothiazole;1,2-thiazole,4-fluoro-3'-methylbenzophenone PubChem CID: 67515 ChEBI: CHEBI:35600 IUPAC Name: 1,2-thiazole SMILES: C1=CSN=C1
| PubChem CID | 67515 |
|---|---|
| CAS | 288-16-4 |
| Molecular Weight (g/mol) | 85.13 |
| ChEBI | CHEBI:35600 |
| SMILES | C1=CSN=C1 |
| Synonym | isothiazole,2-azathiophene,1,2-thiazol,isothiazole;1,2-thiazole,4-fluoro-3'-methylbenzophenone |
| IUPAC Name | 1,2-thiazole |
| InChI Key | ZLTPDFXIESTBQG-UHFFFAOYSA-N |
| Molecular Formula | C3H3NS |