4-Isopropyl-3-(methylthio)-1H-1,2,4-triazol-5(4H)-one
3-methylsulfanyl-4-propan-2-yl-1H-1,2,4-triazol-5-one
Also Known As: 4-Isopropyl-3-(methylthio)-1H-1,2,4-triazol-5(4H)-one|3-methylsulfanyl-4-propan-2-yl-1H-1,2,4-triazol-5-one|3H-1,2,4-TRIAZOL-3-ONE, 2,4-DIHYDRO-4-(1-METHYLETHYL)-5-(METHYLTHIO)-|3H-1,2,4-Triazol-3-one, 2,4-dihydro-4-(1-methylethyl)-5-(methylthio)- (9CI)
CAS: 53159-32-3
| Molecular Formula | C6H11N3OS |
|---|---|
| Molecular Weight | 173.06229 g/mol |
| LogP | 0.8742 |
| Topological Polar Surface Area | 50.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 173.06229 |
| Monoisotopic Mass | 173.06229 |
| Heavy Atoms | 11 |
| Complexity | 288.26266 |
Chemical Identifiers
| CAS Number | 53159-32-3 |
|---|---|
| SMILES | CC(C)N1C(=O)NN=C1SC |
Product Overview
4-Isopropyl-3-(methylthio)-1H-1,2,4-triazol-5(4H)-one (CAS 53159-32-3), with molecular formula C6H11N3OS and molecular weight 173.06229 g/mol. IUPAC: 3-methylsulfanyl-4-propan-2-yl-1H-1,2,4-triazol-5-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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