ChemSpider 2D Image | 3,3'-(1,3-Cyclohexanediyl)bis(2-thioxopropanoic acid) | C12H16O4S2

3,3'-(1,3-Cyclohexanediyl)bis(2-thioxopropanoic acid)

  • Molecular FormulaC12H16O4S2
  • Average mass288.383 Da
  • Monoisotopic mass288.049011 Da
  • ChemSpider ID24783419

More details:

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

1,3-Cyclohexanedipropanoic acid, α,α'-dithioxo- [ACD/Index Name]
3,3'-(1,3-Cyclohexandiyl)bis(2-thioxopropansäure) [German] [ACD/IUPAC Name]
3,3'-(1,3-Cyclohexanediyl)bis(2-thioxopropanoic acid) [ACD/IUPAC Name]
Acide 3,3'-(1,3-cyclohexanediyl)bis(2-thioxopropanoïque) [French] [ACD/IUPAC Name]
1242827-86-6 [RN]
3,3'-(cyclohexane-1,3-diyl)bis(2-thioxopropanoic acid)
3-[3-(2-carboxy-2-sulfanylideneethyl)cyclohexyl]-2-sulfanylidenepropanoic acid
AGN-PC-08S4GM
AKOS004905016
MFCD30176607

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

Density: 1.3±0.1 g/cm3
Boiling Point: 495.1±51.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 83.5±6.0 kJ/mol
Flash Point: 253.2±30.4 °C
Index of Refraction: 1.601
Molar Refractivity: 73.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.88
ACD/LogD (pH 5.5): -2.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 139 Å2
Polarizability: 29.1±0.5 10-24cm3
Surface Tension: 72.8±3.0 dyne/cm
Molar Volume: 213.8±3.0 cm3

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