Found 49 results

Search term: MF = 'C_{5}H_{3}BrN_{2}S'
ChemSpider 2D Image | (5-Bromo-1,3-thiazol-4-yl)acetonitrile | C5H3BrN2S

(5-Bromo-1,3-thiazol-4-yl)acetonitrile

  • Molecular FormulaC5H3BrN2S
  • Average mass203.060 Da
  • Monoisotopic mass201.920029 Da
  • ChemSpider ID58183316

More details:

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

(5-Brom-1,3-thiazol-4-yl)acetonitril [German] [ACD/IUPAC Name]
(5-Bromo-1,3-thiazol-4-yl)acetonitrile [ACD/IUPAC Name]
(5-Bromo-1,3-thiazol-4-yl)acétonitrile [French] [ACD/IUPAC Name]
4-Thiazoleacetonitrile, 5-bromo- [ACD/Index Name]
1909319-59-0 [RN]
2-(5-bromo-1,3-thiazol-4-yl)acetonitrile
MFCD29762636

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

Density: 1.8±0.1 g/cm3
Boiling Point: 329.0±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.1±3.0 kJ/mol
Flash Point: 152.8±23.7 °C
Index of Refraction: 1.613
Molar Refractivity: 39.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.44
ACD/LogD (pH 5.5): 1.13
ACD/BCF (pH 5.5): 4.22
ACD/KOC (pH 5.5): 97.58
ACD/LogD (pH 7.4): 1.13
ACD/BCF (pH 7.4): 4.22
ACD/KOC (pH 7.4): 97.58
Polar Surface Area: 65 Å2
Polarizability: 15.8±0.5 10-24cm3
Surface Tension: 60.9±3.0 dyne/cm
Molar Volume: 114.5±3.0 cm3

Click to predict properties on the Chemicalize site


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