ChemSpider 2D Image | 4-(3-Thienyl)pyrimidine-2-thiol | C8H6N2S2

4-(3-Thienyl)pyrimidine-2-thiol

  • Molecular FormulaC8H6N2S2
  • Average mass194.277 Da
  • Monoisotopic mass193.997238 Da
  • ChemSpider ID23369255

More details:

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

2-Pyrimidinethiol, 4-(3-thienyl)- [ACD/Index Name]
4-(3-Thienyl)-2(1H)-pyrimidinethione [ACD/IUPAC Name]
4-(3-Thiényl)-2(1H)-pyrimidinethione [French] [ACD/IUPAC Name]
4-(3-Thienyl)-2(1H)-pyrimidinthion [German] [ACD/IUPAC Name]
4-(3-Thienyl)pyrimidine-2-thiol
4-(THIOPHEN-3-YL)PYRIMIDINE-2-THIOL
4-thien-3-ylpyrimidine-2-thiol
874880-74-7 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 348.3±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.9±3.0 kJ/mol
Flash Point: 164.4±25.7 °C
Index of Refraction: 1.671
Molar Refractivity: 53.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.32
ACD/LogD (pH 5.5): 0.70
ACD/BCF (pH 5.5): 1.14
ACD/KOC (pH 5.5): 19.92
ACD/LogD (pH 7.4): -0.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.25
Polar Surface Area: 93 Å2
Polarizability: 21.2±0.5 10-24cm3
Surface Tension: 61.1±3.0 dyne/cm
Molar Volume: 143.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement