AC1MJORT
2-[[3-(2-methylprop-2-enyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetonitrile
Also Known As: Oprea1_074212|Oprea1_291746|BAS 02287954|{[3-(2-methylprop-2-en-1-yl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetonitrile|2-((3-(2-methylallyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetonitrile|2-[[3-(2-methylprop-2-enyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetonitrile|2-[3-(2-methylprop-2-enyl)-4-oxo-3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]p yrimidin-2-ylthio]ethanenitrile
| Molecular Formula | C16H17N3OS2 |
|---|---|
| Molecular Weight | 331.0813 g/mol |
| LogP | 3.52858 |
| Topological Polar Surface Area | 58.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 331.0813 |
| Monoisotopic Mass | 331.0813 |
| Heavy Atoms | 22 |
| Complexity | 841.6637 |
Chemical Identifiers
| CAS Number | 351007-41-5 |
|---|---|
| SMILES | CC(=C)CN1C(=O)C2=C(N=C1SCC#N)SC3=C2CCCC3 |
Product Overview
AC1MJORT (CAS 351007-41-5), with molecular formula C16H17N3OS2 and molecular weight 331.0813 g/mol. IUPAC: 2-[[3-(2-methylprop-2-enyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetonitrile.