AC1M5XJU
3-(2-methylpropyl)-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: 4-(2-Methylpropyl)-5-sulfanyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one|3-Isobutyl-2-mercapto-5,6,7,8-tetrahydro-3H-benzo[4,5]thieno[2,3-d]pyrimidin-4-one|3-(2-methylpropyl)-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one|4-(2-methylpropyl)-5-sulfanyl-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one|3-Isobutyl-2-mercapto-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3h)-one|3-isobutyl-2-thioxo-5,6,7,8-tetrahydro-1H-benzothiopheno[2,3-d]pyrimidin-4-one|4-(2-methylpropyl)-5-sulfanyl-8-thia-4,6-diazatricyclo[7.4.0.0?,?]trideca-1(9),2(7),5-trien-3-one
| Molecular Formula | C14H18N2OS2 |
|---|---|
| Molecular Weight | 294.08606 g/mol |
| LogP | 3.65539 |
| Topological Polar Surface Area | 37.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 294.08606 |
| Monoisotopic Mass | 294.08606 |
| Heavy Atoms | 19 |
| Complexity | 736.20953 |
Chemical Identifiers
| CAS Number | 721908-18-5 |
|---|---|
| SMILES | CC(C)CN1C(=O)C2=C(NC1=S)SC3=C2CCCC3 |
Product Overview
AC1M5XJU (CAS 721908-18-5), with molecular formula C14H18N2OS2 and molecular weight 294.08606 g/mol. IUPAC: 3-(2-methylpropyl)-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one.