Found 28 results

Search term: MF = 'C_{15}H_{15}NO_{2}S_{3}'
ChemSpider 2D Image | 3-[2-({[4-(Methylsulfonyl)phenyl]sulfanyl}methyl)-3-thienyl]-2-propyn-1-amine | C15H15NO2S3

3-[2-({[4-(Methylsulfonyl)phenyl]sulfanyl}methyl)-3-thienyl]-2-propyn-1-amine

  • Molecular FormulaC15H15NO2S3
  • Average mass337.480 Da
  • Monoisotopic mass337.026489 Da
  • ChemSpider ID40335098

More details:

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

2-Propyn-1-amine, 3-[2-[[[4-(methylsulfonyl)phenyl]thio]methyl]-3-thienyl]- [ACD/Index Name]
3-[2-({[4-(Methylsulfonyl)phenyl]sulfanyl}methyl)-3-thienyl]-2-propin-1-amin [German] [ACD/IUPAC Name]
3-[2-({[4-(Methylsulfonyl)phenyl]sulfanyl}methyl)-3-thienyl]-2-propyn-1-amine [ACD/IUPAC Name]
3-[2-({[4-(Méthylsulfonyl)phényl]sulfanyl}méthyl)-3-thiényl]-2-propyn-1-amine [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 560.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.3±3.0 kJ/mol
Flash Point: 292.8±30.1 °C
Index of Refraction: 1.678
Molar Refractivity: 91.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.08
ACD/LogD (pH 5.5): -0.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.85
ACD/LogD (pH 7.4): 1.51
ACD/BCF (pH 7.4): 6.14
ACD/KOC (pH 7.4): 90.38
Polar Surface Area: 122 Å2
Polarizability: 36.2±0.5 10-24cm3
Surface Tension: 69.4±5.0 dyne/cm
Molar Volume: 241.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement