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