4-Phenyl-5-p-tolyl-4H-[1,2,4]triazole-3-thiol
Basic information
- CAS
93378-56-4- Standard SMILES
Cc1ccc(-c2n[nH]c(=S)n2-c2ccccc2)cc1- InChIKey
LALVKWMNBBEACB-UHFFFAOYSA-N- Molecular formula
- C15H13N3S
- Average molar mass
- 267.4 g/mol
- Monoisotopic mass
- 267.0830186
Names & identifiers
- Preferred name
- 4-Phenyl-5-p-tolyl-4H-[1,2,4]triazole-3-thiol
- IUPAC
- 3-(4-methylphenyl)-4-phenyl-1H-1,2,4-triazole-5-thione
- English name
- 4-Phenyl-5-p-tolyl-4H-[1,2,4]triazole-3-thiol
- Molecular formula
- C15H13N3S
- Molecular weight
- 267.35
Names & synonyms
93378-56-45-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazole-3-thiol4-Phenyl-5-p-tolyl-4H-[1,2,4]triazole-3-thiol4-Phenyl-5-(p-tolyl)-4H-1,2,4-triazole-3-thiolMFCD005190693-(4-methylphenyl)-4-phenyl-1H-1,2,4-triazole-5-thioneSMR000119150MLS0001217645-(4-methylphenyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione4-phenyl-3-(p-tolyl)-1H-1,2,4-triazole-5-thione4H-1,2,4-triazole-3-thiol, 5-(4-methylphenyl)-4-phenyl-5-(4-methylphenyl)-4-phenyl-1,2,4-triazole-3-thiol
Show more names
EU-0036366ZERO/006557BAS 01816560ZINC00311015AKOS BBS-00003293TIMTEC-BB SBB004455
4-Phenyl-5-p-tolyl-4H-1,2,4-triazole-3-thiolcid_803041SCHEMBL1104404CHEMBL1410338BDBM51956DTXSID80355484HMS2386G18ALBB-023229
Database identifiers
- CAS
93378-56-4- PubChem CID
- 803041
- DTXSID
DTXSID80355484- ChEMBL
CHEMBL1410338- Nikkaji
- J1.196.057J
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 59.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 366
Physicochemical properties
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_code
- Xi
- hazard_class
- IRRITANT
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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