AC1MCU5A
3-ethylsulfanyl-6,6-dimethyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carbonitrile
Also Known As: Maybridge1_004755|HMS555A03|3-(ethylthio)-6,6-dimethyl-4-oxo-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carbonitrile|3-ethylsulfanyl-6,6-dimethyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carbonitrile|Benzo[c]thiophene-1-carbonitrile, 3-(ethylthio)-4,5,6,7-tetrahydro-6,6-dimethyl-4-oxo-|I14-35080|3-(ethylsulfanyl)-6,6-dimethyl-4-oxo-4,5,6,7-tetrahydro-2-benzothiophene-1-carbonitrile|3-(ethylsulfanyl)-6,6-dimethyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carbonitrile|3-ethylthio-6,6-dimethyl-4-oxo-5,6,7-trihydrobenzo[1,2-c]thiophenecarbonitrile
| Molecular Formula | C13H15NOS2 |
|---|---|
| Molecular Weight | 265.0595 g/mol |
| LogP | 3.88688 |
| Topological Polar Surface Area | 40.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 265.0595 |
| Monoisotopic Mass | 265.0595 |
| Heavy Atoms | 17 |
| Complexity | 508.22452 |
Chemical Identifiers
| CAS Number | 175202-70-7 |
|---|---|
| SMILES | CCSC1=C2C(=C(S1)C#N)CC(CC2=O)(C)C |
Product Overview
AC1MCU5A (CAS 175202-70-7), with molecular formula C13H15NOS2 and molecular weight 265.0595 g/mol. IUPAC: 3-ethylsulfanyl-6,6-dimethyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carbonitrile.
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