Basic information
- Standard SMILES
OC(CS)(Cn1cncn1)c1ccc(Cl)cc1Cl- InChIKey
VSNPHRKTHHORTF-UHFFFAOYSA-N- Molecular formula
- C11H11Cl2N3OS
- Average molar mass
- 304.2 g/mol
- Monoisotopic mass
- 302.9999885
Names & identifiers
- Preferred name
- 1-[2-(2,4-dichlorophenyl)-2-hydroxy-3-mercaptopropyl]-1H-1,2,4-triazole
- IUPAC
- 2-(2,4-dichlorophenyl)-1-sulfanyl-3-(1,2,4-triazol-1-yl)propan-2-ol
Names & synonyms
SCHEMBL10713754VSNPHRKTHHORTF-UHFFFAOYSA-N1-[2-(2,4-dichlorophenyl)-2-hydroxy-3-mercaptopropyl]-1H-1,2,4-triazole2-(2,4-dichlorophenyl)-3-mercapto-1-(1H-1,2,4-triazol-1-yl)propan-2-ol3-Mercapto-2-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)propan-2-ol2-(2,4-Dichlorophenyl)-1-mercapto-3-(1H-1,2,4-triazol-1-yl)-propan-2-ol
Database identifiers
- PubChem CID
- 20205891
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 51.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 287
Related reactions
6 records
Compound notes
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