ChemSpider 2D Image | cis-2-(2-butyl)-4,5-dimethyl-3-thiazoline | C9H17NS

cis-2-(2-butyl)-4,5-dimethyl-3-thiazoline

  • Molecular FormulaC9H17NS
  • Average mass171.303 Da
  • Monoisotopic mass171.108170 Da
  • ChemSpider ID32697499

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(2R,5S)-2-sec-Butyl-4,5-dimethyl-2,5-dihydro-1,3-thiazol [German] [ACD/IUPAC Name]
(2R,5S)-2-sec-Butyl-4,5-dimethyl-2,5-dihydro-1,3-thiazole [ACD/IUPAC Name]
(2R,5S)-2-sec-Butyl-4,5-diméthyl-2,5-dihydro-1,3-thiazole [French] [ACD/IUPAC Name]
cis-2-(2-butyl)-4,5-dimethyl-3-thiazoline
Thiazole, 2,5-dihydro-4,5-dimethyl-2-(1-methylpropyl)-, (2R,5S)- [ACD/Index Name]
2-(2-BUTYL)-4,5-DIMETHYL-3-THIAZOLINE, CIS-

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

0C90225Y1T [DBID]
UNII:0C90225Y1T [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 233.2±33.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 45.1±3.0 kJ/mol
Flash Point: 94.8±25.4 °C
Index of Refraction: 1.540
Molar Refractivity: 51.6±0.5 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.95
ACD/LogD (pH 5.5): 2.34
ACD/BCF (pH 5.5): 16.40
ACD/KOC (pH 5.5): 104.79
ACD/LogD (pH 7.4): 3.57
ACD/BCF (pH 7.4): 284.24
ACD/KOC (pH 7.4): 1815.79
Polar Surface Area: 38 Å2
Polarizability: 20.5±0.5 10-24cm3
Surface Tension: 30.4±7.0 dyne/cm
Molar Volume: 164.5±7.0 cm3

Click to predict properties on the Chemicalize site


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