AC1LUBVV
5-benzylsulfanyl-12,12-dimethyl-4-prop-2-enyl-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
Also Known As: 2-(benzylsulfanyl)-6,6-dimethyl-3-(prop-2-en-1-yl)-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one|3-allyl-2-(benzylthio)-6,6-dimethyl-5,6-dihydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one
CAS: 489404-35-5
| Molecular Formula | C21H22N2OS3 |
|---|---|
| Molecular Weight | 414.08942 g/mol |
| LogP | 5.5042 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 414.08942 |
| Monoisotopic Mass | 414.08942 |
| Heavy Atoms | 27 |
| Complexity | 1050.7142 |
Chemical Identifiers
| CAS Number | 489404-35-5 |
|---|---|
| SMILES | CC1(CC2=C(CS1)SC3=C2C(=O)N(C(=N3)SCC4=CC=CC=C4)CC=C)C |
Product Overview
AC1LUBVV (CAS 489404-35-5), with molecular formula C21H22N2OS3 and molecular weight 414.08942 g/mol. IUPAC: 5-benzylsulfanyl-12,12-dimethyl-4-prop-2-enyl-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-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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