AC1NK4QW
2-[(12,12-dimethyl-5-methylsulfanyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraen-3-yl)sulfanyl]ethanol
Also Known As: 2-((6,6-dimethyl-2-(methylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)ethanol|2-{[6,6-dimethyl-2-(methylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]sulfanyl}ethanol
CAS: 844652-80-8
| Molecular Formula | C14H18N2O2S3 |
|---|---|
| Molecular Weight | 342.05304 g/mol |
| LogP | 3.3489 |
| Topological Polar Surface Area | 55.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 342.05304 |
| Monoisotopic Mass | 342.05304 |
| Heavy Atoms | 21 |
| Complexity | 669.77313 |
Chemical Identifiers
| CAS Number | 844652-80-8 |
|---|---|
| SMILES | CC1(CC2=C(CO1)SC3=C2C(=NC(=N3)SC)SCCO)C |
Product Overview
AC1NK4QW (CAS 844652-80-8), with molecular formula C14H18N2O2S3 and molecular weight 342.05304 g/mol. IUPAC: 2-[(12,12-dimethyl-5-methylsulfanyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraen-3-yl)sulfanyl]ethanol.
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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