ChemSpider 2D Image | 3-(Methyl{[4-(2-methyl-2-propanyl)phenyl]sulfonyl}amino)-2-thiophenecarboxylic acid | C16H19NO4S2

3-(Methyl{[4-(2-methyl-2-propanyl)phenyl]sulfonyl}amino)-2-thiophenecarboxylic acid

  • Molecular FormulaC16H19NO4S2
  • Average mass353.456 Da
  • Monoisotopic mass353.075562 Da
  • ChemSpider ID26001767

More details:

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

2-Thiophenecarboxylic acid, 3-[[[4-(1,1-dimethylethyl)phenyl]sulfonyl]methylamino]- [ACD/Index Name]
3-(Methyl{[4-(2-methyl-2-propanyl)phenyl]sulfonyl}amino)-2-thiophencarbonsäure [German] [ACD/IUPAC Name]
3-(Methyl{[4-(2-methyl-2-propanyl)phenyl]sulfonyl}amino)-2-thiophenecarboxylic acid [ACD/IUPAC Name]
Acide 3-(méthyl{[4-(2-méthyl-2-propanyl)phényl]sulfonyl}amino)-2-thiophènecarboxylique [French] [ACD/IUPAC Name]
[1111300-43-6] [RN]
1111300-43-6 [RN]
3-(4-(tert-butyl)-N-methylphenylsulfonamido)thiophene-2-carboxylic acid
3-(4-tert-Butylbenzenesulfonamido)-thiophene-2-carboxylic acid
3-(N-methyl4-tert-butylbenzenesulfonamido)thiophene-2-carboxylic acid
3-[(4-tert-Butyl-benzenesulfonyl)-methyl-amino]-thiophene-2-carboxylic acid
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 503.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.3±3.0 kJ/mol
Flash Point: 258.2±32.9 °C
Index of Refraction: 1.607
Molar Refractivity: 91.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.80
ACD/LogD (pH 5.5): 1.63
ACD/BCF (pH 5.5): 3.28
ACD/KOC (pH 5.5): 21.28
ACD/LogD (pH 7.4): 0.59
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.94
Polar Surface Area: 111 Å2
Polarizability: 36.4±0.5 10-24cm3
Surface Tension: 54.9±3.0 dyne/cm
Molar Volume: 265.8±3.0 cm3

Click to predict properties on the Chemicalize site


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