AC1MW23M
3-benzyl-2-butylsulfanyl-6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: 3-benzyl-2-(butylsulfanyl)-6-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one|3-benzyl-2-butylsulfanyl-6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one|3-benzyl-2-(butylthio)-6-methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one
CAS: 369605-77-6
| Molecular Formula | C22H26N2OS2 |
|---|---|
| Molecular Weight | 398.14865 g/mol |
| LogP | 5.5233 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 398.14865 |
| Monoisotopic Mass | 398.14865 |
| Heavy Atoms | 27 |
| Complexity | 990.9557 |
Chemical Identifiers
| CAS Number | 369605-77-6 |
|---|---|
| SMILES | CCCCSC1=NC2=C(C3=C(S2)CCC(C3)C)C(=O)N1CC4=CC=CC=C4 |
Product Overview
AC1MW23M (CAS 369605-77-6), with molecular formula C22H26N2OS2 and molecular weight 398.14865 g/mol. IUPAC: 3-benzyl-2-butylsulfanyl-6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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