2-Methylthio-4-trifluoromethylbenzoic acid supplier

Name
2-Methylthio-4-trifluoromethylbenzoic acid
EINECS
CAS No. 142994-05-6
Article Data7
CAS DataBase
Density 1.447 g/cm³
Solubility
Melting Point
Formula C₉H₇F₃O₂S
Boiling Point 284.648 °C at 760 mmHg
Molecular Weight 236.215
Flash Point 125.951 °C
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2-Methylthio-4-trifluoromethylbenzoic acid Specification

The 2-Methylthio-4-trifluoromethylbenzoic acid has CAS registry number 142994-05-6. Its molecular formula is C₉H₇F₃O₂S and molecular weight is 236.2109. What's more, its systematic name is 2-(Methylsulfanyl)-4-(trifluoromethyl)benzoic acid.

Physical properties about the 2-Methylthio-4-trifluoromethylbenzoic acid are: (1)ACD/LogP: 3.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 5; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 24; (8)ACD/KOC (pH 7.4): 3; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 62.6 Å²; (13)Index of Refraction: 1.533; (14)Molar Refractivity: 50.658 cm³; (15)Molar Volume: 163.253 cm³; (16)Surface Tension: 43.189 dyne/cm; (17)Density: 1.447 g/cm³; (18)Flash Point: 125.951 °C; (19)Enthalpy of Vaporization: 55.307 kJ/mol; (20)Boiling Point: 284.648 °C at 760 mmHg; (21)Vapour Pressure: 0.001 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CSc1cc(ccc1C(O)=O)C(F)(F)F
(2) InChI: InChI=1/C9H7F3O2S/c1-15-7-4-5(9(10,11)12)2-3-6(7)8(13)14/h2-4H,1H3,(H,13,14)
(3) InChIKey: VAFHTUOXGAZOQY-UHFFFAOYAT

Product Name

2-Methylthio-4-trifluoromethylbenzoic acid

2-Methylthio-4-trifluoromethylbenzoic acid Specification

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