ChemSpider 2D Image | 3-(5-Amino-1,3,4-oxadiazol-2-yl)benzenecarbothioamide | C9H8N4OS

3-(5-Amino-1,3,4-oxadiazol-2-yl)benzenecarbothioamide

  • Molecular FormulaC9H8N4OS
  • Average mass220.251 Da
  • Monoisotopic mass220.041885 Da
  • ChemSpider ID25994116

More details:

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

3-(5-Amino-1,3,4-oxadiazol-2-yl)benzenecarbothioamide [ACD/IUPAC Name]
3-(5-Amino-1,3,4-oxadiazol-2-yl)benzènecarbothioamide [French] [ACD/IUPAC Name]
3-(5-Amino-1,3,4-oxadiazol-2-yl)benzolcarbothioamid [German] [ACD/IUPAC Name]
Benzenecarbothioamide, 3-(5-amino-1,3,4-oxadiazol-2-yl)- [ACD/Index Name]
1223354-08-2 [RN]
3-(5-amino-1,3,4-oxadiazol-2-yl)benzene-1-carbothioamide
MFCD13368242 [MDL number]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 474.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.8±3.0 kJ/mol
Flash Point: 240.7±31.5 °C
Index of Refraction: 1.711
Molar Refractivity: 59.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.99
ACD/LogD (pH 5.5): 0.86
ACD/BCF (pH 5.5): 2.67
ACD/KOC (pH 5.5): 70.31
ACD/LogD (pH 7.4): 0.86
ACD/BCF (pH 7.4): 2.67
ACD/KOC (pH 7.4): 70.31
Polar Surface Area: 123 Å2
Polarizability: 23.7±0.5 10-24cm3
Surface Tension: 85.5±3.0 dyne/cm
Molar Volume: 152.8±3.0 cm3

Click to predict properties on the Chemicalize site


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