3-(Methylthio)-4-oxo-4,5,6,7-tetrahydro-2-benzothiophene-1-carbonitrile
3-methylsulfanyl-4-oxo-6,7-dihydro-5H-2-benzothiophene-1-carbonitrile
Also Known As: NIOBIUMTELLURIDE|Maybridge1_004476|HMS554D10|3-(methylthio)-4-oxo-4,5,6,7-tetrahydro-2-benzothiophene-1-carbonitrile|3-methylsulfanyl-4-oxo-6,7-dihydro-5H-2-benzothiophene-1-carbonitrile|Benzo[c]thiophene-1-carbonitrile,4,5,6,7-tetrahydro-3-(methylthio)-4-oxo-|I14-35091|3-(methylsulfanyl)-4-oxo-4,5,6,7-tetrahydro-2-benzothiophene-1-carbonitrile|1-Cyano-3-(methylthio)-4,5,6,7-tetrahydrobenzo(c)thiophen-4-one|1-cyano-3-methylthio-4,5,6,7-tetrahydro benzo
| Molecular Formula | C10H9NOS2 |
|---|---|
| Molecular Weight | 223.01256 g/mol |
| LogP | 2.86068 |
| Topological Polar Surface Area | 40.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 223.01256 |
| Monoisotopic Mass | 223.01256 |
| Heavy Atoms | 14 |
| Complexity | 428.06577 |
Chemical Identifiers
| CAS Number | 175202-52-5 |
|---|---|
| SMILES | CSC1=C2C(=C(S1)C#N)CCCC2=O |
Product Overview
3-(Methylthio)-4-oxo-4,5,6,7-tetrahydro-2-benzothiophene-1-carbonitrile (CAS 175202-52-5), with molecular formula C10H9NOS2 and molecular weight 223.01256 g/mol. IUPAC: 3-methylsulfanyl-4-oxo-6,7-dihydro-5H-2-benzothiophene-1-carbonitrile.