Basic information
- CAS
51384-17-9- Standard SMILES
CSc1nc(-c2ccccc2)nn1-c1ccccc1- InChIKey
CSIMOTCIFKRTNS-UHFFFAOYSA-N- Molecular formula
- C15H13N3S
- Average molar mass
- 267.4 g/mol
- Monoisotopic mass
- 267.0830186
Names & identifiers
- Preferred name
- 1H-1,2,4-Triazole, 5-(methylthio)-1,3-diphenyl-
- IUPAC
- 5-methylsulfanyl-1,3-diphenyl-1,2,4-triazole
Names & synonyms
DTXSID303475161H-1,2,4-Triazole, 5-(methylthio)-1,3-diphenyl-51384-17-9RefChem:237043DTXCID202985881,3-Diphenyl-5-methylthio-1,2,4-triazole5-(Methylsulfanyl)-1,3-diphenyl-1H-1,2,4-triazoleSCHEMBL11337830CSIMOTCIFKRTNS-UHFFFAOYSA-N5-(Methylsulfanyl)-1,3-diphenyl-1H-1,2,4-triazole #
Database identifiers
- CAS
51384-17-9- PubChem CID
- 622452
- DTXSID
DTXSID30347516- Nikkaji
- J599.998G
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 56 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 275
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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