Found 737 results

Search term: MF = 'C_{12}H_{18}N_{2}S_{2}'
ChemSpider 2D Image | 2,2-Dimethyl-5-{[(2-methyl-1,3-thiazol-4-yl)methyl]sulfanyl}pentanenitrile | C12H18N2S2

2,2-Dimethyl-5-{[(2-methyl-1,3-thiazol-4-yl)methyl]sulfanyl}pentanenitrile

  • Molecular FormulaC12H18N2S2
  • Average mass254.415 Da
  • Monoisotopic mass254.091141 Da
  • ChemSpider ID30124913

More details:

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

2,2-Dimethyl-5-{[(2-methyl-1,3-thiazol-4-yl)methyl]sulfanyl}pentanenitrile [ACD/IUPAC Name]
2,2-Diméthyl-5-{[(2-méthyl-1,3-thiazol-4-yl)méthyl]sulfanyl}pentanenitrile [French] [ACD/IUPAC Name]
2,2-Dimethyl-5-{[(2-methyl-1,3-thiazol-4-yl)methyl]sulfanyl}pentannitril [German] [ACD/IUPAC Name]
Pentanenitrile, 2,2-dimethyl-5-[[(2-methyl-4-thiazolyl)methyl]thio]- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 397.9±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.8±3.0 kJ/mol
Flash Point: 194.4±23.7 °C
Index of Refraction: 1.552
Molar Refractivity: 72.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.26
ACD/LogD (pH 5.5): 3.23
ACD/BCF (pH 5.5): 169.25
ACD/KOC (pH 5.5): 1369.93
ACD/LogD (pH 7.4): 3.23
ACD/BCF (pH 7.4): 169.36
ACD/KOC (pH 7.4): 1370.85
Polar Surface Area: 90 Å2
Polarizability: 28.9±0.5 10-24cm3
Surface Tension: 45.6±3.0 dyne/cm
Molar Volume: 227.7±3.0 cm3

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