AC1MDW4Y
4-(3-chloro-2-methylphenyl)-3-[2-(4-hydroxyphenyl)ethyl]-1H-1,2,4-triazole-5-thione
Also Known As: Maybridge1_000346|Oprea1_474768|HMS542H16|4-(3-Chloro-2-methylphenyl)-2,4-dihydro-5-[2-(4-hydroxyphenyl)ethyl]-3H-1,2,4-triazole-3-thione|4-(3-chloro-2-methylphenyl)-3-[2-(4-hydroxyphenyl)ethyl]-1H-1,2,4-triazole-5-thione|4-(3-Chloro-2-methylphenyl)-2,4-dihydro-5-(2-(4-hydroxyphenyl)ethyl)-3H-1,2,4-triazole-3-thione|4-(3-Chloro-2-methylphenyl)-5-[2-(4-hydroxyphenyl)ethyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C17H16ClN3OS |
|---|---|
| Molecular Weight | 345.07025 g/mol |
| LogP | 4.38251 |
| Topological Polar Surface Area | 53.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 345.07025 |
| Monoisotopic Mass | 345.07025 |
| Heavy Atoms | 23 |
| Complexity | 883.5993 |
Chemical Identifiers
| CAS Number | 217487-49-5 |
|---|---|
| SMILES | CC1=C(C=CC=C1Cl)N2C(=NNC2=S)CCC3=CC=C(C=C3)O |
Product Overview
AC1MDW4Y (CAS 217487-49-5), with molecular formula C17H16ClN3OS and molecular weight 345.07025 g/mol. IUPAC: 4-(3-chloro-2-methylphenyl)-3-[2-(4-hydroxyphenyl)ethyl]-1H-1,2,4-triazole-5-thione.
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