ChemSpider 2D Image | (1R,5S)-4,7,7-Trimethyl-6-thiabicyclo[3.2.1]octane | C10H18S

(1R,5S)-4,7,7-Trimethyl-6-thiabicyclo[3.2.1]octane

  • Molecular FormulaC10H18S
  • Average mass170.315 Da
  • Monoisotopic mass170.112915 Da
  • ChemSpider ID34990307

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1R,5S)-4,7,7-Trimethyl-6-thiabicyclo[3.2.1]octan [German] [ACD/IUPAC Name]
(1R,5S)-4,7,7-Trimethyl-6-thiabicyclo[3.2.1]octane [ACD/IUPAC Name]
(1R,5S)-4,7,7-Triméthyl-6-thiabicyclo[3.2.1]octane [French] [ACD/IUPAC Name]
6-Thiabicyclo[3.2.1]octane, 4,7,7-trimethyl-, (1R,5S)- [ACD/Index Name]
2,8-EPITHIO-CIS-P-MENTHANE, (±)-
269-970-2 [EINECS]
68398-18-5 [RN]
UNII-EMJ1A8616F

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

Density: 0.9±0.1 g/cm3
Boiling Point: 222.7±9.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 44.1±3.0 kJ/mol
Flash Point: 79.0±15.4 °C
Index of Refraction: 1.493
Molar Refractivity: 52.5±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.84
ACD/LogD (pH 5.5): 4.11
ACD/BCF (pH 5.5): 777.55
ACD/KOC (pH 5.5): 4081.16
ACD/LogD (pH 7.4): 4.11
ACD/BCF (pH 7.4): 777.55
ACD/KOC (pH 7.4): 4081.16
Polar Surface Area: 25 Å2
Polarizability: 20.8±0.5 10-24cm3
Surface Tension: 31.1±3.0 dyne/cm
Molar Volume: 180.8±3.0 cm3

Click to predict properties on the Chemicalize site


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