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Search term: ZCOCHUAGSBNGCP-CLTKARDFSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (2Z)-2-Sulfanyl-3-(2,3,6-trichlorophenyl)acrylic acid | C9H5Cl3O2S

(2Z)-2-Sulfanyl-3-(2,3,6-trichlorophenyl)acrylic acid

  • Molecular FormulaC9H5Cl3O2S
  • Average mass283.559 Da
  • Monoisotopic mass281.907593 Da
  • ChemSpider ID32741532

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-2-Sulfanyl-3-(2,3,6-trichlorophenyl)acrylic acid [ACD/IUPAC Name]
(2z)-2-Sulfanyl-3-(2,3,6-Trichlorophenyl)prop-2-Enoic Acid
(2Z)-2-Sulfanyl-3-(2,3,6-trichlorphenyl)acrylsäure [German] [ACD/IUPAC Name]
2-Propenoic acid, 2-mercapto-3-(2,3,6-trichlorophenyl)-, (2Z)- [ACD/Index Name]
Acide (2Z)-2-sulfanyl-3-(2,3,6-trichlorophényl)acrylique [French] [ACD/IUPAC Name]
(Z)-2-Mercapto-3-(2,3,6-trichlorophenyl)acrylic acid
ML302F

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

Density: 1.6±0.1 g/cm3
Boiling Point: 438.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.2±3.0 kJ/mol
Flash Point: 218.7±28.7 °C
Index of Refraction: 1.681
Molar Refractivity: 66.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.39
ACD/LogD (pH 5.5): 2.02
ACD/BCF (pH 5.5): 5.72
ACD/KOC (pH 5.5): 27.35
ACD/LogD (pH 7.4): 0.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 76 Å2
Polarizability: 26.2±0.5 10-24cm3
Surface Tension: 60.7±3.0 dyne/cm
Molar Volume: 174.7±3.0 cm3

Click to predict properties on the Chemicalize site


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