ChemSpider 2D Image | 3-[(2-Chloro-4-methoxybenzyl)sulfanyl]-1H-1,2,4-triazol-5-amine | C10H11ClN4OS

3-[(2-Chloro-4-methoxybenzyl)sulfanyl]-1H-1,2,4-triazol-5-amine

  • Molecular FormulaC10H11ClN4OS
  • Average mass270.738 Da
  • Monoisotopic mass270.034210 Da
  • ChemSpider ID30450639

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

3-[(2-Chlor-4-methoxybenzyl)sulfanyl]-1H-1,2,4-triazol-5-amin [German] [ACD/IUPAC Name]
3-[(2-Chloro-4-methoxybenzyl)sulfanyl]-1H-1,2,4-triazol-5-amine [ACD/IUPAC Name]
3-[(2-Chloro-4-méthoxybenzyl)sulfanyl]-1H-1,2,4-triazol-5-amine [French] [ACD/IUPAC Name]
4H-1,2,4-Triazol-3-amine, 5-[[(2-chloro-4-methoxyphenyl)methyl]thio]- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4530286/

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 519.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.2±3.0 kJ/mol
Flash Point: 267.8±32.9 °C
Index of Refraction: 1.672
Molar Refractivity: 68.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.56
ACD/LogD (pH 5.5): 2.39
ACD/BCF (pH 5.5): 38.42
ACD/KOC (pH 5.5): 473.33
ACD/LogD (pH 7.4): 2.39
ACD/BCF (pH 7.4): 38.47
ACD/KOC (pH 7.4): 473.90
Polar Surface Area: 102 Å2
Polarizability: 27.1±0.5 10-24cm3
Surface Tension: 79.5±5.0 dyne/cm
Molar Volume: 182.9±5.0 cm3

Click to predict properties on the Chemicalize site


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