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CAS No.: | 40096-23-9 |
---|---|
Name: | 3-FLUOROTHIOANISOLE |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C7H7FS |
Molecular Weight: | 142.197 |
Synonyms: | 3-Fluorobenzenemethanethiol;3-Fluorobenzylmercaptan;m-Fluorobenzyl mercaptan; |
Density: | 1.13 g/cm3 |
Boiling Point: | 177.5 °C at 760 mmHg |
Flash Point: | 61.2 °C |
Hazard Symbols: | Xi |
PSA: | 38.80000 |
LogP: | 2.25550 |
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The CAS register number of Benzenemethanethiol, 3-fluoro- is 40096-23-9. It also can be called as 3-Fluorophenyl methyl sulfide and the systematic name about this chemical is 1-fluoro-3-(methylsulfanyl)benzene. The molecular formula about this chemical is C7H7FS and the molecular weight is 142.2. It belongs to the Sulfur.
Physical properties about Benzenemethanethiol, 3-fluoro- are: (1)ACD/LogP: 2.74; (2)ACD/LogD (pH 5.5): 2.74; (3)ACD/LogD (pH 7.4): 2.74; (4)ACD/BCF (pH 5.5): 71.44; (5)ACD/BCF (pH 7.4): 71.44; (6)ACD/KOC (pH 5.5): 739.04; (7)ACD/KOC (pH 7.4): 739.04; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 25.3Å2; (10)Index of Refraction: 1.544; (11)Molar Refractivity: 39.5 cm3; (12)Molar Volume: 125.1 cm3; (13)Polarizability: 15.66x10-24cm3; (14)Surface Tension: 34.5 dyne/cm; (15)Flash Point: 61.2 °C; (16)Enthalpy of Vaporization: 39.69 kJ/mol; (17)Boiling Point: 177.5 °C at 760 mmHg; (18)Vapour Pressure: 1.39 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cccc(SC)c1
(2)InChI: InChI=1/C7H7FS/c1-9-7-4-2-3-6(8)5-7/h2-5H,1H3
(3)InChIKey: SQXSNYMCORGWCE-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C7H7FS/c1-9-7-4-2-3-6(8)5-7/h2-5H,1H3
(5)Std. InChIKey: SQXSNYMCORGWCE-UHFFFAOYSA-N