1H-1,2,4-Triazole, 3-(4-chlorophenyl)-1-methyl-5-(methylsulfonyl)-
Basic information
- CAS
154106-11-3- Standard SMILES
Cn1nc(-c2ccc(Cl)cc2)nc1S(C)(=O)=O- InChIKey
KRHDSRWEONQVEF-UHFFFAOYSA-N- Molecular formula
- C10H10ClN3O2S
- Average molar mass
- 271.72 g/mol
- Monoisotopic mass
- 271.0182254
Names & identifiers
- Preferred name
- 1H-1,2,4-Triazole, 3-(4-chlorophenyl)-1-methyl-5-(methylsulfonyl)-
- IUPAC
- 3-(4-chlorophenyl)-1-methyl-5-methylsulfonyl-1,2,4-triazole
Names & synonyms
154106-11-33-(4-Chlorophenyl)-1-methyl-5-(methylsulfonyl)-1H-1,2,4-triazole1H-1,2,4-Triazole, 3-(4-chlorophenyl)-1-methyl-5-(methylsulfonyl)-DTXSID70165534RefChem:237029DTXCID7088025CHEMBL275483-(4-Chlorophenyl)-5-(methanesulfonyl)-1-methyl-1H-1,2,4-triazole
Database identifiers
- CAS
154106-11-3- PubChem CID
- 3073971
- DTXSID
DTXSID70165534- ChEMBL
CHEMBL27548- Nikkaji
- J577.080G
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 73.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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