ChemSpider 2D Image | 5-[(2,4-Dichlorobenzyl)sulfanyl]-1,3,4-thiadiazole-2(5H)-thione | C9H6Cl2N2S3

5-[(2,4-Dichlorobenzyl)sulfanyl]-1,3,4-thiadiazole-2(5H)-thione

  • Molecular FormulaC9H6Cl2N2S3
  • Average mass309.258 Da
  • Monoisotopic mass307.907013 Da
  • ChemSpider ID95794731

More details:

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

1,3,4-Thiadiazole-2(5H)-thione, 5-[[(2,4-dichlorophenyl)methyl]thio]- [ACD/Index Name]
5-[(2,4-Dichlorbenzyl)sulfanyl]-1,3,4-thiadiazol-2(5H)-thion [German] [ACD/IUPAC Name]
5-[(2,4-Dichlorobenzyl)sulfanyl]-1,3,4-thiadiazole-2(5H)-thione [ACD/IUPAC Name]
5-[(2,4-Dichlorobenzyl)sulfanyl]-1,3,4-thiadiazole-2(5H)-thione [French] [ACD/IUPAC Name]
136384-19-5 [RN]
5-{[(2,4-dichlorophenyl)methyl]sulfanyl}-2,5-dihydro-1,3,4-thiadiazole-2-thione
5-{[(2,4-dichlorophenyl)methyl]sulfanyl}-5H-1,3,4-thiadiazole-2-thione

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

Density: 1.7±0.1 g/cm3
Boiling Point: 422.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 65.0±3.0 kJ/mol
Flash Point: 209.1±31.5 °C
Index of Refraction: 1.767
Molar Refractivity: 77.2±0.5 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.08
ACD/LogD (pH 5.5): 4.43
ACD/BCF (pH 5.5): 1371.96
ACD/KOC (pH 5.5): 6127.83
ACD/LogD (pH 7.4): 4.43
ACD/BCF (pH 7.4): 1371.96
ACD/KOC (pH 7.4): 6127.83
Polar Surface Area: 107 Å2
Polarizability: 30.6±0.5 10-24cm3
Surface Tension: 59.5±7.0 dyne/cm
Molar Volume: 186.3±7.0 cm3

Click to predict properties on the Chemicalize site


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