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Search term: APQZSJNAUWIYAV-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 3-({[(4-Bromophenyl)sulfanyl]acetyl}amino)-4-methyl-2-thiophenecarboxylic acid | C14H12BrNO3S2

3-({[(4-Bromophenyl)sulfanyl]acetyl}amino)-4-methyl-2-thiophenecarboxylic acid

  • Molecular FormulaC14H12BrNO3S2
  • Average mass386.284 Da
  • Monoisotopic mass384.944183 Da
  • ChemSpider ID30818616

More details:

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

2-Thiophenecarboxylic acid, 3-[[2-[(4-bromophenyl)thio]acetyl]amino]-4-methyl- [ACD/Index Name]
3-({[(4-Bromophenyl)sulfanyl]acetyl}amino)-4-methyl-2-thiophenecarboxylic acid [ACD/IUPAC Name]
3-({[(4-Bromphenyl)sulfanyl]acetyl}amino)-4-methyl-2-thiophencarbonsäure [German] [ACD/IUPAC Name]
Acide 3-({2-[(4-bromophényl)sulfanyl]acétyl}amino)-4-méthyl-2-thiophènecarboxylique [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 567.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.7±3.0 kJ/mol
Flash Point: 297.2±30.1 °C
Index of Refraction: 1.699
Molar Refractivity: 89.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.22
ACD/LogD (pH 5.5): 2.78
ACD/BCF (pH 5.5): 29.20
ACD/KOC (pH 5.5): 123.82
ACD/LogD (pH 7.4): 1.50
ACD/BCF (pH 7.4): 1.52
ACD/KOC (pH 7.4): 6.47
Polar Surface Area: 120 Å2
Polarizability: 35.4±0.5 10-24cm3
Surface Tension: 74.1±5.0 dyne/cm
Molar Volume: 231.1±5.0 cm3

Click to predict properties on the Chemicalize site


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