ChemSpider 2D Image | (6S)-N-(Cyclopropylmethyl)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine | C12H17NS2

(6S)-N-(Cyclopropylmethyl)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine

  • Molecular FormulaC12H17NS2
  • Average mass239.400 Da
  • Monoisotopic mass239.080246 Da
  • ChemSpider ID41052376

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(6S)-N-(Cyclopropylmethyl)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amin [German] [ACD/IUPAC Name]
(6S)-N-(Cyclopropylmethyl)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine [ACD/IUPAC Name]
(6S)-N-(Cyclopropylméthyl)-6-méthyl-5,6-dihydro-4H-thiéno[2,3-b]thiopyrane-4-amine [French] [ACD/IUPAC Name]
4H-Thieno[2,3-b]thiopyran-4-amine, N-(cyclopropylmethyl)-5,6-dihydro-6-methyl-, (6S)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 344.5±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 58.8±3.0 kJ/mol
Flash Point: 162.1±27.9 °C
Index of Refraction: 1.622
Molar Refractivity: 69.4±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.18
ACD/LogD (pH 5.5): 0.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.61
ACD/LogD (pH 7.4): 2.15
ACD/BCF (pH 7.4): 12.30
ACD/KOC (pH 7.4): 88.72
Polar Surface Area: 66 Å2
Polarizability: 27.5±0.5 10-24cm3
Surface Tension: 49.5±5.0 dyne/cm
Molar Volume: 197.1±5.0 cm3

Click to predict properties on the Chemicalize site


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