1-[2-(2,4-dichlorophenyl)-2-hydroxy-3-mercaptopropyl]-1H-1,2,4-triazole

HCID 20205891

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

Related reactions

6 records

Compound notes

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