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Search term: MF = 'C_{10}H_{17}NO_{2}S_{2}'
ChemSpider 2D Image | Methyl [(1-azepanylcarbonothioyl)sulfanyl]acetate | C10H17NO2S2

Methyl [(1-azepanylcarbonothioyl)sulfanyl]acetate

  • Molecular FormulaC10H17NO2S2
  • Average mass247.378 Da
  • Monoisotopic mass247.070068 Da
  • ChemSpider ID21601321

More details:

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

[(1-Azépanylcarbonothioyl)sulfanyl]acétate de méthyle [French] [ACD/IUPAC Name]
Acetic acid, 2-[[(hexahydro-1H-azepin-1-yl)thioxomethyl]thio]-, methyl ester [ACD/Index Name]
Methyl [(1-azepanylcarbonothioyl)sulfanyl]acetate [ACD/IUPAC Name]
Methyl-[(1-azepanylcarbonothioyl)sulfanyl]acetat [German] [ACD/IUPAC Name]
methyl [(azepan-1-ylcarbonothioyl)sulfanyl]acetate
methyl 2-(azepane-1-carbothioylsulfanyl)acetate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 337.4±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 58.1±3.0 kJ/mol
Flash Point: 157.9±28.4 °C
Index of Refraction: 1.565
Molar Refractivity: 66.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.36
ACD/LogD (pH 5.5): 2.02
ACD/BCF (pH 5.5): 20.19
ACD/KOC (pH 5.5): 299.10
ACD/LogD (pH 7.4): 2.02
ACD/BCF (pH 7.4): 20.19
ACD/KOC (pH 7.4): 299.11
Polar Surface Area: 87 Å2
Polarizability: 26.5±0.5 10-24cm3
Surface Tension: 52.7±3.0 dyne/cm
Molar Volume: 204.8±3.0 cm3

Click to predict properties on the Chemicalize site


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