C13H16N2OS3
11,11-dimethyl-4,6-bis(methylsulfanyl)-12-oxa-8-thia-3,5-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene
Also Known As: 7,7-dimethyl-2,4-bis(methylsulfanyl)-6,9-dihydro-7H-pyrano[3',4':4,5]thieno[3,2-d]pyrimidine|7,7-dimethyl-2,4-bis(methylthio)-7,9-dihydro-6H-pyrano[3',4':4,5]thieno[3,2-d]pyrimidine
CAS: 904009-67-2
| Molecular Formula | C13H16N2OS3 |
|---|---|
| Molecular Weight | 312.04248 g/mol |
| LogP | 3.9864 |
| Topological Polar Surface Area | 35.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 312.04248 |
| Monoisotopic Mass | 312.04248 |
| Heavy Atoms | 19 |
| Complexity | 636.34033 |
Chemical Identifiers
| CAS Number | 904009-67-2 |
|---|---|
| SMILES | CC1(CC2=C(CO1)C3=C(S2)C(=NC(=N3)SC)SC)C |
Product Overview
C13H16N2OS3 (CAS 904009-67-2), with molecular formula C13H16N2OS3 and molecular weight 312.04248 g/mol. IUPAC: 11,11-dimethyl-4,6-bis(methylsulfanyl)-12-oxa-8-thia-3,5-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene.
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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