4-Fluoro-2-methylthiophenol supplier

Name
4-fluoro-2-methylbenzenethiol
EINECS
CAS No. 845823-04-3
Article Data2
CAS DataBase
Density 1.16 g/cm³
Solubility
Melting Point
Formula C₇H₇FS
Boiling Point 186.7 °C at 760 mmHg
Molecular Weight 142.197
Flash Point 68.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-fluoro-2-methylbenzenethiol;Benzenethiol, 4-fluoro-2-methyl-;
PSA 38.80000
LogP 2.42280

4-Fluoro-2-methylthiophenol Specification

The 4-Fluoro-2-methylthiophenol, with the CAS registry number 845823-04-3, is also called Benzenethiol, 4-fluoro-2-methyl-. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₇H₇FS.

The characteristics of4-Fluoro-2-methylthiophenol are as followings: (1)ACD/LogP: 3.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.24; (4)ACD/LogD (pH 7.4): 2.42; (5)ACD/BCF (pH 5.5): 167.59; (6)ACD/BCF (pH 7.4): 25.39; (7)ACD/KOC (pH 5.5): 1332.1; (8)ACD/KOC (pH 7.4): 201.83; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 25.3 Å²; (13)Index of Refraction: 1.553; (14)Molar Refractivity: 39.24 cm³; (15)Molar Volume: 122.5 cm³; (16)Polarizability: 15.55×10^-24cm³; (17)Surface Tension: 36.1 dyne/cm; (18)Density: 1.16 g/cm³; (19)Flash Point: 68.7 °C; (20)Enthalpy of Vaporization: 40.56 kJ/mol; (21)Boiling Point: 186.7 °C at 760 mmHg; (22)Vapour Pressure: 0.898 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Fc1ccc(S)c(c1)C
(2)InChI: InChI=1/C7H7FS/c1-5-4-6(8)2-3-7(5)9/h2-4,9H,1H3
(3)InChIKey: ZEKNCCBACRDOAR-UHFFFAOYAV

Product Name

4-fluoro-2-methylbenzenethiol

4-Fluoro-2-methylthiophenol Specification

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