2-(METHYLTHIO)THIOPHENE

The CAS register number of 2-Methylthiothiophene is 5780-36-9. It also can be called as Thiophene,2-(methylthio)- and the IUPAC name about this chemical is 2-methylsulfanylthiophene. The molecular formula about this chemical is C₅H₆S₂ and the molecular weight is 130.23.

Physical properties about 2-Methylthiothiophene are: (1)ACD/LogP: 2.38; (2)ACD/LogD (pH 5.5): 2.38; (3)ACD/LogD (pH 7.4): 2.38; (4)ACD/BCF (pH 5.5): 38.07; (5)ACD/BCF (pH 7.4): 38.07; (6)ACD/KOC (pH 5.5): 470.97; (7)ACD/KOC (pH 7.4): 470.97 ; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 53.54Ų; (10)Index of Refraction: 1.598; (11)Molar Refractivity: 37.53 cm³; (12)Molar Volume: 109.9 cm³; (13)Polarizability: 14.87x10^-24cm³; (14)Surface Tension: 42.6 dyne/cm; (15)Flash Point: 69.6 °C; (16)Enthalpy of Vaporization: 41.02 kJ/mol; (17)Boiling Point: 191.5 °C at 760 mmHg; (18)Vapour Pressure: 0.714 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-ethylsulfanyl-thiophene and iodomethane. This reaction will also produce 2-methyl-5-methylsulfanyl-thiophene. It will need reagent Na/NH₃. The yield is about 63%.

Uses of 2-Methylthiothiophene: it can be used to produce 2-thiocyanato-thiophene with cyanogen iodide at ambient temperature. This reaction will need reagent MeSNa and solvent hexamethylphosphoric acid triamide, benzene with reaction time of 4.5 hour(s). The yield is about 35%.

You can still convert the following datas into molecular structure:
(1)SMILES: S(c1sccc1)C
(2)InChI: InChI=1/C5H6S2/c1-6-5-3-2-4-7-5/h2-4H,1H3
(3)InChIKey: ZLSMPEVZXWDWEK-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C5H6S2/c1-6-5-3-2-4-7-5/h2-4H,1H3
(5)Std. InChIKey: ZLSMPEVZXWDWEK-UHFFFAOYSA-N