ChemSpider 2D Image | (1Z)-3-[({2-[(Diaminomethylene)amino]-1,3-thiazol-4-yl}methyl)sulfanyl]-N'-sulfamoyl(~2~H_4_)propanimidamide | C8H11D4N7O2S3

(1Z)-3-[({2-[(Diaminomethylene)amino]-1,3-thiazol-4-yl}methyl)sulfanyl]-N'-sulfamoyl(2H4)propanimidamide

  • Molecular FormulaC8H11D4N7O2S3
  • Average mass341.470 Da
  • Monoisotopic mass341.070038 Da
  • ChemSpider ID58793903

  • Non-standard isotope - Non-standard isotope

More details:

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

(1Z)-3-[({2-[(Diaminomethylen)amino]-1,3-thiazol-4-yl}methyl)sulfanyl]-N'-sulfamoyl(2H4)propanimidamid [German] [ACD/IUPAC Name]
(1Z)-3-[({2-[(Diaminomethylene)amino]-1,3-thiazol-4-yl}methyl)sulfanyl]-N'-sulfamoyl(2H4)propanimidamide [ACD/IUPAC Name]
(1Z)-3-[({2-[(Diaminométhylène)amino]-1,3-thiazol-4-yl}méthyl)sulfanyl]-N'-sulfamoyl(2H4)propanimidamide [French] [ACD/IUPAC Name]
Propan-2,2,3,3-d4-imidamide, N'-(aminosulfonyl)-3-[[[2-[(diaminomethylene)amino]-4-thiazolyl]methyl]thio]-, (1Z)- [ACD/Index Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 662.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.4±3.0 kJ/mol
Flash Point: 354.4±34.3 °C
Index of Refraction: 1.808
Molar Refractivity: 79.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 8
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: -0.40
ACD/LogD (pH 5.5): -2.67
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.05
Polar Surface Area: 238 Å2
Polarizability: 31.3±0.5 10-24cm3
Surface Tension: 97.3±7.0 dyne/cm
Molar Volume: 183.6±7.0 cm3

Click to predict properties on the Chemicalize site


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