Found 2 results

Search term: TYVPOLHSKGEXIH (Found by InChIKey (skeleton match))
ChemSpider 2D Image | {3-[(~2~H_3_)Methylsulfanyl]phenyl}boronic acid | C7H6D3BO2S

{3-[(2H3)Methylsulfanyl]phenyl}boronic acid

  • Molecular FormulaC7H6D3BO2S
  • Average mass171.040 Da
  • Monoisotopic mass171.060455 Da
  • ChemSpider ID27459419

  • Non-standard isotope - Non-standard isotope

More details:

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

{3-[(2H3)Methylsulfanyl]phenyl}boronic acid [ACD/IUPAC Name]
{3-[(2H3)Methylsulfanyl]phenyl}borsäure [German] [ACD/IUPAC Name]
Acide {3-[(2H3)méthylsulfanyl]phényl}boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[3-(methyl-d3-thio)phenyl]- [ACD/Index Name]
3-(Methylthiol-d3)-phenylboronic acid

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

Density: 1.2±0.1 g/cm3
Boiling Point: 342.5±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.9±3.0 kJ/mol
Flash Point: 160.9±28.4 °C
Index of Refraction: 1.584
Molar Refractivity: 45.9±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.08
ACD/LogD (pH 5.5): 2.06
ACD/BCF (pH 5.5): 21.44
ACD/KOC (pH 5.5): 311.95
ACD/LogD (pH 7.4): 1.96
ACD/BCF (pH 7.4): 17.25
ACD/KOC (pH 7.4): 251.00
Polar Surface Area: 66 Å2
Polarizability: 18.2±0.5 10-24cm3
Surface Tension: 48.5±5.0 dyne/cm
Molar Volume: 137.3±5.0 cm3

Click to predict properties on the Chemicalize site


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