Found 40 results

Search term: MF = 'C_{12}H_{18}O_{5}S_{2}'
ChemSpider 2D Image | 5-Isopropyl-3-[3-(methylsulfonyl)propoxy]-2-thiophenecarboxylic acid | C12H18O5S2

5-Isopropyl-3-[3-(methylsulfonyl)propoxy]-2-thiophenecarboxylic acid

  • Molecular FormulaC12H18O5S2
  • Average mass306.398 Da
  • Monoisotopic mass306.059570 Da
  • ChemSpider ID44324967

More details:

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

2-Thiophenecarboxylic acid, 5-(1-methylethyl)-3-[3-(methylsulfonyl)propoxy]- [ACD/Index Name]
5-Isopropyl-3-[3-(methylsulfonyl)propoxy]-2-thiophencarbonsäure [German] [ACD/IUPAC Name]
5-Isopropyl-3-[3-(methylsulfonyl)propoxy]-2-thiophenecarboxylic acid [ACD/IUPAC Name]
Acide 5-isopropyl-3-[3-(méthylsulfonyl)propoxy]-2-thiophènecarboxylique [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 536.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.6±3.0 kJ/mol
Flash Point: 278.2±30.1 °C
Index of Refraction: 1.540
Molar Refractivity: 74.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.53
ACD/LogD (pH 5.5): 0.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.95
ACD/LogD (pH 7.4): -1.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 117 Å2
Polarizability: 29.4±0.5 10-24cm3
Surface Tension: 49.7±3.0 dyne/cm
Molar Volume: 236.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement