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4,6-Dimethyl-1H-pyrimidine-2-thione hydrochloride (62501-45-5)

Identification
Name:4,6-Dimethyl-1H-pyrimidine-2-thione hydrochloride
Synonyms:4,6-dimethyl-1,2-dihydropyrimidine-2-thione hydrochloride;2(1H)-pyrimidinethione, 4,6-dimethyl-, hydrochloride (1:1);
CAS:62501-45-5
EINECS: 263-578-5
Molecular Formula: C6H8N2S.HCl
Molecular Weight: 176.6671
InChI: InChI=1S/C6H8N2S.ClH/c1-4-3-5(2)8-6(9)7-4;/h3H,1-2H3,(H,7,8,9);1H
Molecular Structure: (C6H8N2S.HCl) 4,6-dimethyl-1,2-dihydropyrimidine-2-thione hydrochloride;2(1H)-pyrimidinethione, 4,6-dimethyl-, hyd...
Properties
Flash Point: 82.5°C
Boiling Point: 212.9°Cat760mmHg
Density:g/cm3
Specification:

The CAS register number of 4,6-Dimethyl-1H-pyrimidine-2-thione hydrochloride is 62501-45-5. It also can be called as 2(1H)-pyrimidinethione, 4,6-dimethyl-, hydrochloride (1:1) and the IUPAC name about this chemical is 4,6-dimethyl-1H-pyrimidine-2-thione hydrochloride. The molecular formula about this chemical is C6H8N2S.HCl and the molecular weight is 176.67.

Physical properties about 4,6-Dimethyl-1H-pyrimidine-2-thione hydrochloride are: (1)ACD/LogP: 0.42; (2)ACD/LogD (pH 5.5): 0.42; (3)ACD/LogD (pH 7.4): 0.42; (4)ACD/BCF (pH 5.5): 1.23; (5)ACD/BCF (pH 7.4): 1.22; (6)ACD/KOC (pH 5.5): 40.45; (7)ACD/KOC (pH 7.4): 39.96; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)Polar Surface Area: 47.69Å2; (11)Flash Point: 82.5 °C; (12)Enthalpy of Vaporization: 44.92 kJ/mol; (13)Boiling Point: 212.9 °C at 760 mmHg; (14)Vapour Pressure: 0.169 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: S=C1/N=C(\C=C(/N1)C)C.Cl
(2)InChI: InChI=1/C6H8N2S.ClH/c1-4-3-5(2)8-6(9)7-4;/h3H,1-2H3,(H,7,8,9);1H
(3)InChIKey: KAHPDWLNROMIHC-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C6H8N2S.ClH/c1-4-3-5(2)8-6(9)7-4;/h3H,1-2H3,(H,7,8,9);1H
(5)Std. InChIKey: KAHPDWLNROMIHC-UHFFFAOYSA-N

Flash Point: 82.5°C
Safety Data
 

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