ChemSpider 2D Image | [1-(1,4-Thiazepan-4-ylmethyl)cyclopropyl]methanethiol | C10H19NS2

[1-(1,4-Thiazepan-4-ylmethyl)cyclopropyl]methanethiol

  • Molecular FormulaC10H19NS2
  • Average mass217.395 Da
  • Monoisotopic mass217.095886 Da
  • ChemSpider ID35585594

More details:

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

[1-(1,4-Thiazepan-4-ylmethyl)cyclopropyl]methanethiol [ACD/IUPAC Name]
[1-(1,4-Thiazépan-4-ylméthyl)cyclopropyl]méthanethiol [French] [ACD/IUPAC Name]
[1-(1,4-Thiazepan-4-ylmethyl)cyclopropyl]methanthiol [German] [ACD/IUPAC Name]
Cyclopropanemethanethiol, 1-[(tetrahydro-1,4-thiazepin-4(5H)-yl)methyl]- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 324.4±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.6±3.0 kJ/mol
Flash Point: 150.0±23.7 °C
Index of Refraction: 1.568
Molar Refractivity: 63.8±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.20
ACD/LogD (pH 5.5): -0.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.12
ACD/LogD (pH 7.4): 1.48
ACD/BCF (pH 7.4): 4.18
ACD/KOC (pH 7.4): 46.16
Polar Surface Area: 67 Å2
Polarizability: 25.3±0.5 10-24cm3
Surface Tension: 42.9±3.0 dyne/cm
Molar Volume: 195.1±3.0 cm3

Click to predict properties on the Chemicalize site


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