AC1MW1X9
5-methylsulfanyl-10,12-diphenyl-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
Also Known As: 2-(methylthio)-6,8-diphenyl-5,6-dihydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one|2-(methylsulfanyl)-6,8-diphenyl-5,8-dihydro-6H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-ol
CAS: 672275-98-8
| Molecular Formula | C22H18N2OS3 |
|---|---|
| Molecular Weight | 422.05814 g/mol |
| LogP | 5.8265 |
| Topological Polar Surface Area | 45.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 422.05814 |
| Monoisotopic Mass | 422.05814 |
| Heavy Atoms | 28 |
| Complexity | 1185.114 |
Chemical Identifiers
| CAS Number | 672275-98-8 |
|---|---|
| SMILES | CSC1=NC2=C(C3=C(S2)C(SC(C3)C4=CC=CC=C4)C5=CC=CC=C5)C(=O)N1 |
Product Overview
AC1MW1X9 (CAS 672275-98-8), with molecular formula C22H18N2OS3 and molecular weight 422.05814 g/mol. IUPAC: 5-methylsulfanyl-10,12-diphenyl-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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