ChemSpider 2D Image | Dimethyl 3-methyl-5-[(sulfanylmethylene)amino]-2,4-thiophenedicarboxylate | C10H11NO4S2

Dimethyl 3-methyl-5-[(sulfanylmethylene)amino]-2,4-thiophenedicarboxylate

  • Molecular FormulaC10H11NO4S2
  • Average mass273.329 Da
  • Monoisotopic mass273.012939 Da
  • ChemSpider ID44241715

More details:

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

2,4-Thiophenedicarboxylic acid, 5-[(mercaptomethylene)amino]-3-methyl-, dimethyl ester [ACD/Index Name]
3-Méthyl-5-[(sulfanylméthylène)amino]-2,4-thiophènedicarboxylate de diméthyle [French] [ACD/IUPAC Name]
Dimethyl 3-methyl-5-[(sulfanylmethylene)amino]-2,4-thiophenedicarboxylate [ACD/IUPAC Name]
Dimethyl-3-methyl-5-[(sulfanylmethylen)amino]-2,4-thiophendicarboxylat [German] [ACD/IUPAC Name]
5-Isothiocyanato-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester
956576-59-3 [RN]
Dimethyl 5-isothiocyanato-3-methylthiophene-2,4-dicarboxylate

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

MFCD09971939 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 418.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.2±3.0 kJ/mol
Flash Point: 206.7±31.5 °C
Index of Refraction: 1.605
Molar Refractivity: 68.2±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.96
ACD/LogD (pH 5.5): 0.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.35
ACD/LogD (pH 7.4): -0.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 132 Å2
Polarizability: 27.0±0.5 10-24cm3
Surface Tension: 44.3±7.0 dyne/cm
Molar Volume: 198.0±7.0 cm3

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