4,5-DIMETHYL-1H-IMIDAZOLE-2-THIOL

The CAS register number of 2H-Imidazole-2-thione,1,3-dihydro-4,5-dimethyl- is 1192-72-9. It also can be called as 2-Mercapto-4,5-dimethylimidazole and the IUPAC name about this chemical is 4,5-dimethyl-1,3-dihydroimidazole-2-thione. The molecular formula about this chemical is C₅H₈N₂S and the molecular weight is 128.2.

Physical properties about 2H-Imidazole-2-thione,1,3-dihydro-4,5-dimethyl- are: (1)ACD/LogP: 1.39; (2)ACD/LogD (pH 5.5): 1.39; (3)ACD/LogD (pH 7.4): 1.39; (4)ACD/BCF (pH 5.5): 6.76; (5)ACD/BCF (pH 7.4): 6.76; (6)ACD/KOC (pH 5.5): 136.62; (7)ACD/KOC (pH 7.4): 136.61; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)Polar Surface Area: 38.57 Å²; (11)Index of Refraction: 1.612; (12)Molar Refractivity: 37.01 cm³; (13)Molar Volume: 106.4 cm³; (14)Polarizability: 14.67x10^-24cm³; (15)Surface Tension: 50.5 dyne/cm; (16)Density: 1.2 g/cm³; (17)Flash Point: 62.5 °C; (18)Enthalpy of Vaporization: 41.61 kJ/mol; (19)Boiling Point: 179.8 °C at 760 mmHg; (20)Vapour Pressure: 0.925 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
If you want to store it, you should keep the container tightly sealed in dry, cool places. Please ensure that the workshop is well ventilated or equipped with exhaust device. It is slightly hazardous to water. It is not permitted undiluted product or large quantities to reach ground water, water course or sewage system. If no official permission, do not put materials into the permission surroundings. Usually it is not harmful to water. If you store and use this chemical according the rule, it will not be decomposed.

You can still convert the following datas into molecular structure:
(1)SMILES: S=C1N\C(=C(/N1)C)C
(2)InChI: InChI=1/C5H8N2S/c1-3-4(2)7-5(8)6-3/h1-2H3,(H2,6,7,8)
(3)InChIKey: RJZVFQDMZHOHKT-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C5H8N2S/c1-3-4(2)7-5(8)6-3/h1-2H3,(H2,6,7,8)
(5)Std. InChIKey: RJZVFQDMZHOHKT-UHFFFAOYSA-N