4H-1,2,4-Triazole, 4-methyl-3-(methylsulfinyl)-5-phenyl-
Basic information
- CAS
116850-60-3- Standard SMILES
Cn1c(-c2ccccc2)nnc1S(C)=O- InChIKey
LXHVERNYCANDQP-UHFFFAOYSA-N- Molecular formula
- C10H11N3OS
- Average molar mass
- 221.28 g/mol
- Monoisotopic mass
- 221.06228316
Names & identifiers
- Preferred name
- 4H-1,2,4-Triazole, 4-methyl-3-(methylsulfinyl)-5-phenyl-
- IUPAC
- 4-methyl-3-methylsulfinyl-5-phenyl-1,2,4-triazole
Names & synonyms
116850-60-34H-1,2,4-Triazole, 4-methyl-3-(methylsulfinyl)-5-phenyl-RefChem:10717624-Methyl-3-(methylsulfinyl)-5-phenyl-4H-1,2,4-triazoleCHEMBL26516SCHEMBL9217722DTXSID309221803-(Methanesulfinyl)-4-methyl-5-phenyl-4H-1,2,4-triazole
Database identifiers
- CAS
116850-60-3- PubChem CID
- 3088005
- DTXSID
DTXSID30922180- ChEMBL
CHEMBL26516- Nikkaji
- J577.049A
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 67 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 243
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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