ST50338002
Basic information
- CAS
5865-09-8- Standard SMILES
S=c1[nH]nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1- InChIKey
ZLNXWIMQMQWAGJ-UHFFFAOYSA-N- Molecular formula
- C14H8Cl3N3S
- Average molar mass
- 356.7 g/mol
- Monoisotopic mass
- 354.950452
Names & identifiers
- Preferred name
- ST50338002
- IUPAC
- 4-(4-chlorophenyl)-3-(2,4-dichlorophenyl)-1H-1,2,4-triazole-5-thione
Names & synonyms
5865-09-8ST50338002DTXSID90359690RefChem:381610DTXCID10310743MLS0012113854-(4-Chloro-phenyl)-5-(2,4-dichloro-phenyl)-4H-[1,2,4]triazole-3-thiolSMR0005153374-(4-chlorophenyl)-3-(2,4-dichlorophenyl)-1H-1,2,4-triazole-5-thione4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-4H-1,2,4-triazole-3-thiol4-(4-CHLORO-PHENYL)-5-(2,4-DICHLORO-PHENYL)-4H-(1,2,4)TRIAZOLE-3-THIOLcid_984192
Show more names
CHEMBL1460947BDBM73875HMS2819K20SMSF0008692AKOS000581572CB00366CCG-3136265-(2,4-dichlorophenyl)-4-(4-chlorophenyl)-1,2,4-triazole-3-thiol
Database identifiers
- CAS
5865-09-8- PubChem CID
- 984192
- DTXSID
DTXSID90359690- ChEMBL
CHEMBL1460947- EC Number
- 166-626-2
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 59.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 437
Experimental & physicochemical properties
Solubility24.3 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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