ChemSpider 2D Image | (3-Iodophenyl)methanethiol | C7H7IS

(3-Iodophenyl)methanethiol

  • Molecular FormulaC7H7IS
  • Average mass250.100 Da
  • Monoisotopic mass249.931305 Da
  • ChemSpider ID31044372

More details:

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

(3-Iodophenyl)methanethiol [ACD/IUPAC Name]
(3-Iodophényl)méthanethiol [French] [ACD/IUPAC Name]
(3-Iodphenyl)methanthiol [German] [ACD/IUPAC Name]
Benzenemethanethiol, 3-iodo- [ACD/Index Name]
1856912-90-7 [RN]
36748-88-6 [RN]
3-Iodo-benzo[b]thiohene
MFCD32013549

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

Density: 1.8±0.1 g/cm3
Boiling Point: 287.6±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 50.6±3.0 kJ/mol
Flash Point: 127.7±22.6 °C
Index of Refraction: 1.654
Molar Refractivity: 52.0±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.77
ACD/LogD (pH 5.5): 3.38
ACD/BCF (pH 5.5): 220.05
ACD/KOC (pH 5.5): 1653.36
ACD/LogD (pH 7.4): 3.38
ACD/BCF (pH 7.4): 218.06
ACD/KOC (pH 7.4): 1638.44
Polar Surface Area: 39 Å2
Polarizability: 20.6±0.5 10-24cm3
Surface Tension: 47.1±3.0 dyne/cm
Molar Volume: 141.9±3.0 cm3

Click to predict properties on the Chemicalize site


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