ChemSpider 2D Image | S-Benzyl (2R)-2-butanyl[(2S)-2-butanyl]carbamothioate | C16H25NOS

S-Benzyl (2R)-2-butanyl[(2S)-2-butanyl]carbamothioate

  • Molecular FormulaC16H25NOS
  • Average mass279.441 Da
  • Monoisotopic mass279.165680 Da
  • ChemSpider ID34994471

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R)-2-Butanyl[(2S)-2-butanyl]carbamothioate de S-benzyle [French] [ACD/IUPAC Name]
Carbamothioic acid, N-[(1R)-1-methylpropyl]-N-[(1S)-1-methylpropyl]-, S-(phenylmethyl) ester [ACD/Index Name]
S-Benzyl (2R)-2-butanyl[(2S)-2-butanyl]carbamothioate [ACD/IUPAC Name]
S-Benzyl-(2R)-2-butanyl[(2S)-2-butanyl]carbamothioat [German] [ACD/IUPAC Name]
253-190-4 [EINECS]
36756-79-3 [RN]
TIOCARBAZIL
UNII-UO440RHO7T

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

Density: 1.0±0.1 g/cm3
Boiling Point: 372.5±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 62.0±3.0 kJ/mol
Flash Point: 179.1±25.9 °C
Index of Refraction: 1.531
Molar Refractivity: 84.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.69
ACD/LogD (pH 5.5): 4.54
ACD/BCF (pH 5.5): 1657.22
ACD/KOC (pH 5.5): 7015.03
ACD/LogD (pH 7.4): 4.54
ACD/BCF (pH 7.4): 1657.22
ACD/KOC (pH 7.4): 7015.03
Polar Surface Area: 46 Å2
Polarizability: 33.5±0.5 10-24cm3
Surface Tension: 37.9±3.0 dyne/cm
Molar Volume: 273.4±3.0 cm3

Click to predict properties on the Chemicalize site


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