Basic information
- CAS
5316-64-3- Standard SMILES
Cc1ccccc1-c1nnc(SCc2ccc(Cl)c(Cl)c2)n1C- InChIKey
MGIYHIKJZMLCJL-UHFFFAOYSA-N- Molecular formula
- C17H15Cl2N3S
- Average molar mass
- 364.3 g/mol
- Monoisotopic mass
- 363.0363741
Names & identifiers
- Preferred name
- 3-[(3,4-dichlorobenzyl)sulfanyl]-4-methyl-5-(2-methylphenyl)-4H-1,2,4-triazole
- IUPAC
- 3-[(3,4-dichlorophenyl)methylsulfanyl]-4-methyl-5-(2-methylphenyl)-1,2,4-triazole
Names & synonyms
STK2454903-[(3,4-dichlorobenzyl)sulfanyl]-4-methyl-5-(2-methylphenyl)-4H-1,2,4-triazole5316-64-33-{[(3,4-Dichlorophenyl)methyl]sulfanyl}-4-methyl-5-(2-methylphenyl)-4H-1,2,4-triazoleDTXSID20409490AKOS000356870
Database identifiers
- CAS
5316-64-3- PubChem CID
- 5200764
- DTXSID
DTXSID20409490
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 56 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 387
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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