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Search term: C12H16O2S (Found by molecular formula)
ChemSpider 2D Image | Methyl [(4-isopropylphenyl)sulfanyl]acetate | C12H16O2S

Methyl [(4-isopropylphenyl)sulfanyl]acetate

  • Molecular FormulaC12H16O2S
  • Average mass224.319 Da
  • Monoisotopic mass224.087097 Da
  • ChemSpider ID22764016

More details:

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

[(4-Isopropylphényl)sulfanyl]acétate de méthyle [French] [ACD/IUPAC Name]
875256-85-2 [RN]
Acetic acid, 2-[[4-(1-methylethyl)phenyl]thio]-, methyl ester [ACD/Index Name]
Methyl [(4-isopropylphenyl)sulfanyl]acetate [ACD/IUPAC Name]
methyl 2-{[4-(propan-2-yl)phenyl]sulfanyl}acetate
Methyl-[(4-isopropylphenyl)sulfanyl]acetat [German] [ACD/IUPAC Name]
METHYL 2-([4-(PROPAN-2-YL)PHENYL]SULFANYL)ACETATE
METHYL 2-[(4-ISOPROPYLPHENYL)SULFANYL]ACETATE
MFCD11184358 [MDL number]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 300.8±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 54.1±3.0 kJ/mol
Flash Point: 131.7±14.0 °C
Index of Refraction: 1.537
Molar Refractivity: 64.4±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.22
ACD/LogD (pH 5.5): 3.35
ACD/BCF (pH 5.5): 208.05
ACD/KOC (pH 5.5): 1588.40
ACD/LogD (pH 7.4): 3.35
ACD/BCF (pH 7.4): 208.05
ACD/KOC (pH 7.4): 1588.40
Polar Surface Area: 52 Å2
Polarizability: 25.5±0.5 10-24cm3
Surface Tension: 39.8±5.0 dyne/cm
Molar Volume: 206.3±5.0 cm3

Click to predict properties on the Chemicalize site


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