ChemSpider 2D Image | (4-Chloro-1,2-thiazol-5-yl)acetonitrile | C5H3ClN2S

(4-Chloro-1,2-thiazol-5-yl)acetonitrile

  • Molecular FormulaC5H3ClN2S
  • Average mass158.609 Da
  • Monoisotopic mass157.970551 Da
  • ChemSpider ID45456396

More details:

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

(4-Chlor-1,2-thiazol-5-yl)acetonitril [German] [ACD/IUPAC Name]
(4-Chloro-1,2-thiazol-5-yl)acetonitrile [ACD/IUPAC Name]
(4-Chloro-1,2-thiazol-5-yl)acétonitrile [French] [ACD/IUPAC Name]
5-Isothiazoleacetonitrile, 4-chloro- [ACD/Index Name]
1936633-67-8 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 181.3±22.0 °C at 760 mmHg
Vapour Pressure: 0.9±0.3 mmHg at 25°C
Enthalpy of Vaporization: 41.8±3.0 kJ/mol
Flash Point: 63.4±22.3 °C
Index of Refraction: 1.587
Molar Refractivity: 37.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.63
ACD/LogD (pH 5.5): 1.36
ACD/BCF (pH 5.5): 6.38
ACD/KOC (pH 5.5): 131.16
ACD/LogD (pH 7.4): 1.36
ACD/BCF (pH 7.4): 6.38
ACD/KOC (pH 7.4): 131.16
Polar Surface Area: 65 Å2
Polarizability: 14.7±0.5 10-24cm3
Surface Tension: 58.8±3.0 dyne/cm
Molar Volume: 110.3±3.0 cm3

Click to predict properties on the Chemicalize site


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