Found 93 results

Search term: MF = 'C_{8}H_{10}BrNO_{4}S_{2}'
ChemSpider 2D Image | N-[(3-Bromo-5-methyl-2-thienyl)sulfonyl]-beta-alanine | C8H10BrNO4S2

N-[(3-Bromo-5-methyl-2-thienyl)sulfonyl]-β-alanine

  • Molecular FormulaC8H10BrNO4S2
  • Average mass328.203 Da
  • Monoisotopic mass326.923462 Da
  • ChemSpider ID54487367

More details:

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

N-[(3-Brom-5-methyl-2-thienyl)sulfonyl]-β-alanin [German] [ACD/IUPAC Name]
N-[(3-Bromo-5-methyl-2-thienyl)sulfonyl]-β-alanine [ACD/IUPAC Name]
N-[(3-Bromo-5-méthyl-2-thiényl)sulfonyl]-β-alanine [French] [ACD/IUPAC Name]
β-Alanine, N-[(3-bromo-5-methyl-2-thienyl)sulfonyl]- [ACD/Index 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: 509.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.2±3.0 kJ/mol
Flash Point: 262.1±32.9 °C
Index of Refraction: 1.604
Molar Refractivity: 65.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.32
ACD/LogD (pH 5.5): 0.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.75
ACD/LogD (pH 7.4): -1.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 120 Å2
Polarizability: 25.9±0.5 10-24cm3
Surface Tension: 60.2±3.0 dyne/cm
Molar Volume: 189.6±3.0 cm3

Click to predict properties on the Chemicalize site


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