2-Thienylmethanethiol

The IUPAC name of 2-Thiophenemethanethiol is thiophen-2-ylmethanethiol. With the CAS registry number 6258-63-5, it is also named as 2-Thenylmercaptan. The product's category is Sulfur. Besides, it is clear colourless to slightly yellow liquid, which should be stored in closed containers in a cool, dry warehouse away from fire. When you are using this chemical, please avoid contact with skin and eyes. In addition, its molecular formula is C₅H₆S₂ and molecular weight is 130.22.

The other characteristics of this product can be summarized as: (1)EINECS: 228-394-1; (2)ACD/LogP: 2.42; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 2.42; (5)ACD/LogD (pH 7.4): 2.41; (6)ACD/BCF (pH 5.5): 40.44; (7)ACD/BCF (pH 7.4): 39.77; (8)ACD/KOC (pH 5.5): 491.79; (9)ACD/KOC (pH 7.4): 483.59; (10)#H bond acceptors: 0; (11)#H bond donors: 0; (12)#Freely Rotating Bonds: 2; (13)Polar Surface Area: 53.54 Å²; (14)Index of Refraction: 1.601; (15)Molar Refractivity: 37.44 cm³; (16)Molar Volume: 109.2 cm³; (17)Polarizability: 14.84×10^-24cm³; (18)Surface Tension: 42.5 dyne/cm; (19)Density: 1.191 g/cm³; (20)Flash Point: 74.9 °C; (21)Enthalpy of Vaporization: 41.86 kJ/mol; (22)Boiling Point: 200.3 °C at 760 mmHg; (23)Vapour Pressure: 0.463 mmHg at 25 °C.

Preparation of 2-Thiophenemethanethiol: this chemical can be prepared by 2-Chloromethyl-thiophene.



The yield is 80 %.

Uses of 2-Thiophenemethanethiol: it can react with Di-[3]thienyl-butadiyne to get 3'-Thiophen-3-ylmethyl-[2,2';5',3'']terthiophene.



This reaction needs Dimethylsulfoxide and KOH at ambient temperature for 1 hour. The yield is 68 %.

People can use the following data to convert to the molecule structure.
(1)SMILES: SCc1sccc1
(2)InChI: InChI=1/C5H6S2/c6-4-5-2-1-3-7-5/h1-3,6H,4H2
(3)InChIKey: GCZQHDFWKVMZOE-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C5H6S2/c6-4-5-2-1-3-7-5/h1-3,6H,4H2
(5)Std. InChIKey: GCZQHDFWKVMZOE-UHFFFAOYSA-N