AC1MJS3G
5-(4-hydroxy-3-iodo-5-methoxyphenyl)-11-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one
Also Known As: Oprea1_098621|Oprea1_560861|BAS 00742255|2-(4-hydroxy-3-iodo-5-methoxyphenyl)-7-methyl-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one
CAS: 499985-19-2
| Molecular Formula | C17H18IN3O3S |
|---|---|
| Molecular Weight | 471.01135 g/mol |
| LogP | 2.9089 |
| Topological Polar Surface Area | 73.83 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 471.01135 |
| Monoisotopic Mass | 471.01135 |
| Heavy Atoms | 25 |
| Complexity | 867.30835 |
Chemical Identifiers
| CAS Number | 499985-19-2 |
|---|---|
| SMILES | CN1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC(=C(C(=C4)I)O)OC |
Product Overview
AC1MJS3G (CAS 499985-19-2), with molecular formula C17H18IN3O3S and molecular weight 471.01135 g/mol. IUPAC: 5-(4-hydroxy-3-iodo-5-methoxyphenyl)-11-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-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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