Found 8 results

Search term: MF = 'C_{5}H_{4}O_{2}S_{3}'
ChemSpider 2D Image | (2-Thioxo-1,3-dithiol-4-yl)acetic acid | C5H4O2S3

(2-Thioxo-1,3-dithiol-4-yl)acetic acid

  • Molecular FormulaC5H4O2S3
  • Average mass192.279 Da
  • Monoisotopic mass191.937332 Da
  • ChemSpider ID60746368

More details:

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

(2-Thioxo-1,3-dithiol-4-yl)acetic acid [ACD/IUPAC Name]
(2-Thioxo-1,3-dithiol-4-yl)essigsäure [German] [ACD/IUPAC Name]
1,3-Dithiole-4-acetic acid, 2-thioxo- [ACD/Index Name]
Acide (2-thioxo-1,3-dithiol-4-yl)acétique [French] [ACD/IUPAC Name]
4-carboxymethyl-1,3-dithiole-2-thione
90403-80-8 [RN]
MFCD20653168

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

Density: 1.7±0.1 g/cm3
Boiling Point: 400.9±47.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 71.5±6.0 kJ/mol
Flash Point: 196.3±29.3 °C
Index of Refraction: 1.773
Molar Refractivity: 47.6±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.64
ACD/LogD (pH 5.5): 0.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.72
ACD/LogD (pH 7.4): -1.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 120 Å2
Polarizability: 18.9±0.5 10-24cm3
Surface Tension: 96.6±5.0 dyne/cm
Molar Volume: 114.2±5.0 cm3

Click to predict properties on the Chemicalize site


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