ChemSpider 2D Image | 2-[(Diisopropylamino)methyl]benzenethiol | C13H21NS

2-[(Diisopropylamino)methyl]benzenethiol

  • Molecular FormulaC13H21NS
  • Average mass223.378 Da
  • Monoisotopic mass223.139465 Da
  • ChemSpider ID35326320

More details:

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

2-[(Diisopropylamino)methyl]benzenethiol [ACD/IUPAC Name]
2-[(Diisopropylamino)méthyl]benzènethiol [French] [ACD/IUPAC Name]
2-[(Diisopropylamino)methyl]benzolthiol [German] [ACD/IUPAC Name]
Benzenethiol, 2-[[bis(1-methylethyl)amino]methyl]- [ACD/Index Name]
2-((Diisopropylamino)methyl)benzenethiol
2-[(Di-iso-propylamino)methyl]thiophenol
2-{[BIS(PROPAN-2-YL)AMINO]METHYL}BENZENE-1-THIOL
75126-73-7 [RN]
atoms 15 bonds 15
MFCD22373551

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 293.6±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.3±3.0 kJ/mol
Flash Point: 131.4±20.4 °C
Index of Refraction: 1.541
Molar Refractivity: 70.8±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.04
ACD/LogD (pH 5.5): 0.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.65
ACD/LogD (pH 7.4): 1.13
ACD/BCF (pH 7.4): 1.09
ACD/KOC (pH 7.4): 7.37
Polar Surface Area: 42 Å2
Polarizability: 28.1±0.5 10-24cm3
Surface Tension: 35.9±3.0 dyne/cm
Molar Volume: 225.4±3.0 cm3

Click to predict properties on the Chemicalize site


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