ChemSpider 2D Image | Methyl 3-(thieno[3,2-b]thiophen-2-yl)-2-propynoate | C10H6O2S2

Methyl 3-(thieno[3,2-b]thiophen-2-yl)-2-propynoate

  • Molecular FormulaC10H6O2S2
  • Average mass222.283 Da
  • Monoisotopic mass221.980927 Da
  • ChemSpider ID36363245

More details:

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

2-Propynoic acid, 3-thieno[3,2-b]thien-2-yl-, methyl ester [ACD/Index Name]
3-(Thiéno[3,2-b]thiophén-2-yl)-2-propynoate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-(thieno[3,2-b]thiophen-2-yl)-2-propynoate [ACD/IUPAC Name]
Methyl-3-(thieno[3,2-b]thiophen-2-yl)propiolat [German] [ACD/IUPAC Name]
1505721-79-8 [RN]
MFCD23978101

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

Density: 1.4±0.1 g/cm3
Boiling Point: 361.2±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.7±3.0 kJ/mol
Flash Point: 172.3±22.3 °C
Index of Refraction: 1.677
Molar Refractivity: 59.0±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 6.28
ACD/LogD (pH 5.5): 4.21
ACD/BCF (pH 5.5): 926.60
ACD/KOC (pH 5.5): 4627.03
ACD/LogD (pH 7.4): 4.21
ACD/BCF (pH 7.4): 926.60
ACD/KOC (pH 7.4): 4627.03
Polar Surface Area: 83 Å2
Polarizability: 23.4±0.5 10-24cm3
Surface Tension: 63.1±5.0 dyne/cm
Molar Volume: 156.6±5.0 cm3

Click to predict properties on the Chemicalize site


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