ChemSpider 2D Image | (6-Benzyl-6-azaspiro[3.4]oct-2-yl)methanethiol | C15H21NS

(6-Benzyl-6-azaspiro[3.4]oct-2-yl)methanethiol

  • Molecular FormulaC15H21NS
  • Average mass247.399 Da
  • Monoisotopic mass247.139465 Da
  • ChemSpider ID29302855

More details:

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

(6-Benzyl-6-azaspiro[3.4]oct-2-yl)methanethiol [ACD/IUPAC Name]
(6-Benzyl-6-azaspiro[3.4]oct-2-yl)méthanethiol [French] [ACD/IUPAC Name]
(6-Benzyl-6-azaspiro[3.4]oct-2-yl)methanthiol [German] [ACD/IUPAC Name]
6-Azaspiro[3.4]octane-2-methanethiol, 6-(phenylmethyl)- [ACD/Index Name]
(6-benzyl-6-azaspiro[3.4]octan-2-yl)methanethiol
{6-BENZYL-6-AZASPIRO[3.4]OCTAN-2-YL}METHANETHIOL
1420844-59-2 [RN]
MFCD24384548

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

Density: 1.1±0.1 g/cm3
Boiling Point: 359.9±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.6±3.0 kJ/mol
Flash Point: 171.5±20.4 °C
Index of Refraction: 1.601
Molar Refractivity: 76.1±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.06
ACD/LogD (pH 5.5): 0.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.33
ACD/LogD (pH 7.4): 1.45
ACD/BCF (pH 7.4): 2.82
ACD/KOC (pH 7.4): 23.13
Polar Surface Area: 42 Å2
Polarizability: 30.2±0.5 10-24cm3
Surface Tension: 46.1±5.0 dyne/cm
Molar Volume: 222.1±5.0 cm3

Click to predict properties on the Chemicalize site


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