AC1NE1XG
2-benzylsulfanyl-6-methyl-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: Oprea1_516636|SR-01000465309-1|2-(benzylsulfanyl)-6-methyl-3-(prop-2-en-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one|2-benzylsulfanyl-6-methyl-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one|3-ALLYL-2-(BENZYLSULFANYL)-6-METHYL-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE|3-allyl-2-(benzylthio)-6-methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one
| Molecular Formula | C21H22N2OS2 |
|---|---|
| Molecular Weight | 382.11737 g/mol |
| LogP | 5.0611 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 382.11737 |
| Monoisotopic Mass | 382.11737 |
| Heavy Atoms | 26 |
| Complexity | 1004.26324 |
Chemical Identifiers
| CAS Number | 369605-14-1 |
|---|---|
| SMILES | CC1CCC2=C(C1)C3=C(S2)N=C(N(C3=O)CC=C)SCC4=CC=CC=C4 |
Product Overview
AC1NE1XG (CAS 369605-14-1), with molecular formula C21H22N2OS2 and molecular weight 382.11737 g/mol. IUPAC: 2-benzylsulfanyl-6-methyl-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one.
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