ChemSpider 2D Image | (2-Isopropyl-1,3-thiazol-5-yl)methanethiol | C7H11NS2

(2-Isopropyl-1,3-thiazol-5-yl)methanethiol

  • Molecular FormulaC7H11NS2
  • Average mass173.299 Da
  • Monoisotopic mass173.033295 Da
  • ChemSpider ID27165756

More details:

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

(2-Isopropyl-1,3-thiazol-5-yl)methanethiol [ACD/IUPAC Name]
(2-Isopropyl-1,3-thiazol-5-yl)méthanethiol [French] [ACD/IUPAC Name]
(2-Isopropyl-1,3-thiazol-5-yl)methanthiol [German] [ACD/IUPAC Name]
5-Thiazolemethanethiol, 2-(1-methylethyl)- [ACD/Index Name]
(2-isopropylthiazol-5-yl)methanethiol
[2-(propan-2-yl)-1,3-thiazol-5-yl]methanethiol
1420904-22-8 [RN]
MFCD24384068

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

Density: 1.1±0.1 g/cm3
Boiling Point: 253.7±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 47.1±3.0 kJ/mol
Flash Point: 107.2±20.4 °C
Index of Refraction: 1.565
Molar Refractivity: 49.7±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.50
ACD/LogD (pH 5.5): 2.33
ACD/BCF (pH 5.5): 34.94
ACD/KOC (pH 5.5): 442.61
ACD/LogD (pH 7.4): 2.31
ACD/BCF (pH 7.4): 32.75
ACD/KOC (pH 7.4): 414.90
Polar Surface Area: 80 Å2
Polarizability: 19.7±0.5 10-24cm3
Surface Tension: 42.0±3.0 dyne/cm
Molar Volume: 152.6±3.0 cm3

Click to predict properties on the Chemicalize site


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