Found 17 results

Search term: MF = 'C_{13}H_{11}NO_{2}S_{3}'
ChemSpider 2D Image | Methyl 3-amino-4-methyl-5-(thieno[3,2-b]thiophen-2-yl)-2-thiophenecarboxylate | C13H11NO2S3

Methyl 3-amino-4-methyl-5-(thieno[3,2-b]thiophen-2-yl)-2-thiophenecarboxylate

  • Molecular FormulaC13H11NO2S3
  • Average mass309.427 Da
  • Monoisotopic mass308.995178 Da
  • ChemSpider ID36362357

More details:

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

2-Thiophenecarboxylic acid, 3-amino-4-methyl-5-thieno[3,2-b]thien-2-yl-, methyl ester [ACD/Index Name]
3-Amino-4-méthyl-5-(thiéno[3,2-b]thiophén-2-yl)-2-thiophènecarboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-amino-4-methyl-5-(thieno[3,2-b]thiophen-2-yl)-2-thiophenecarboxylate [ACD/IUPAC Name]
Methyl-3-amino-4-methyl-5-(thieno[3,2-b]thiophen-2-yl)-2-thiophencarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 526.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.1±3.0 kJ/mol
Flash Point: 272.4±30.1 °C
Index of Refraction: 1.723
Molar Refractivity: 84.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 6.95
ACD/LogD (pH 5.5): 5.25
ACD/BCF (pH 5.5): 5740.50
ACD/KOC (pH 5.5): 17070.15
ACD/LogD (pH 7.4): 5.25
ACD/BCF (pH 7.4): 5740.98
ACD/KOC (pH 7.4): 17071.59
Polar Surface Area: 137 Å2
Polarizability: 33.6±0.5 10-24cm3
Surface Tension: 63.1±3.0 dyne/cm
Molar Volume: 213.7±3.0 cm3

Click to predict properties on the Chemicalize site


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