AC1Q3XTG
2-[(3-chlorophenyl)methylsulfanyl]-3-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: 2-[(3-chlorobenzyl)sulfanyl]-3-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one|2-((3-chlorobenzyl)thio)-3-methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one|2-[(3-chlorophenyl)methylsulfanyl]-3-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one|2-[(3-chlorophenyl)methylthio]-3-methyl-3,5,6,7,8-pentahydrobenzo[b]thiopheno[ 2,3-d]pyrimidin-4-one|5-{[(3-chlorophenyl)methyl]sulfanyl}-4-methyl-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one
| Molecular Formula | C18H17ClN2OS2 |
|---|---|
| Molecular Weight | 376.0471 g/mol |
| LogP | 4.8195 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 376.0471 |
| Monoisotopic Mass | 376.0471 |
| Heavy Atoms | 24 |
| Complexity | 977.0446 |
Chemical Identifiers
| CAS Number | 577698-72-7 |
|---|---|
| SMILES | CN1C(=O)C2=C(N=C1SCC3=CC(=CC=C3)Cl)SC4=C2CCCC4 |
Product Overview
AC1Q3XTG (CAS 577698-72-7), with molecular formula C18H17ClN2OS2 and molecular weight 376.0471 g/mol. IUPAC: 2-[(3-chlorophenyl)methylsulfanyl]-3-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one.