Mls003115924
4-(4-chlorophenyl)-1,3,8-trimethyl-4H-pyrazolo[5,4-e][1,4]thiazepin-7-one
Also Known As: ChemDiv1_024022|Oprea1_111921|HMS655D20|SR-01000473600-1|4-(4-chlorophenyl)-1,3,8-trimethyl-4H-pyrazolo[3,4-e][1,4]thiazepin-7-one|4-(4-Chlorophenyl)-1,3,8-trimethyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one|4-(4-chlorophenyl)-1,3,8-trimethyl-4H-pyrazolo[3,4-e][1,4]th
CAS: 59166-15-3
| Molecular Formula | C15H16ClN3OS |
|---|---|
| Molecular Weight | 321.07025 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 63.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 321.07025 |
| Monoisotopic Mass | 321.07025 |
| Heavy Atoms | 21 |
| Complexity | 402.0 |
Chemical Identifiers
| CAS Number | 59166-15-3 |
|---|---|
| SMILES | CC1=NN(C2=C1C(SCC(=O)N2C)C3=CC=C(C=C3)Cl)C |
| InChIKey | HTCOMBLJKZMIOS-UHFFFAOYSA-N |
Product Overview
Mls003115924 (CAS 59166-15-3), with molecular formula C15H16ClN3OS and molecular weight 321.07025 g/mol. IUPAC: 4-(4-chlorophenyl)-1,3,8-trimethyl-4H-pyrazolo[5,4-e][1,4]thiazepin-7-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.
View MSDS →
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