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84255-41-4

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Basic Information
CAS No.: 84255-41-4
Name: 2,5-dimethyl-1H-imidazole-4-carbodithioic acid
Molecular Structure:
Molecular Structure of 84255-41-4 (2,5-dimethyl-1H-imidazole-4-carbodithioic acid)
Formula: C6H8N2S2
Molecular Weight: 172.275
Synonyms: 1H-Imidazole-4-carbodithioicacid, 2,5-dimethyl- (9CI);2,4-Dimethylimidazole-5-dithiocarboxylic acid;2,5-Dimethylimidazole-4-dithiocarboxylic acid;2,5-dimethyl-1H-imidazole-4-carbodithioic acid;
EINECS: 282-590-1
Density: 1.32 g/cm3
Boiling Point: 389.2 °C at 760 mmHg
Flash Point: 189.2 °C
PSA: 99.57000
LogP: 1.63180
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Specification

The 1H-Imidazole-5-carbodithioicacid, 2,4-dimethyl-, with the CAS registry number 84255-41-4 and EINECS registry number 282-590-1, has the systematic name of 2,5-dimethyl-1H-imidazole-4-carbodithioic acid. It is a kind of organics, and should be stord in the dry and cool environment. And the molecular formula of this chemical is C6H8N2S2.

The physical properties of 1H-Imidazole-5-carbodithioicacid, 2,4-dimethyl- are as following: (1)ACD/LogP: 0.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.92; (4)ACD/LogD (pH 7.4): -2.39; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 75.21 Å2; (13)Index of Refraction: 1.674; (14)Molar Refractivity: 48.97 cm3; (15)Molar Volume: 130.4 cm3; (16)Polarizability: 19.41×10-24cm3; (17)Surface Tension: 68.2 dyne/cm; (18)Density: 1.32 g/cm3; (19)Flash Point: 189.2 °C; (20)Enthalpy of Vaporization: 61.35 kJ/mol; (21)Boiling Point: 389.2 °C at 760 mmHg; (22)Vapour Pressure: 6.5E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: S=C(S)c1nc(nc1C)C
(2)InChI: InChI=1/C6H8N2S2/c1-3-5(6(9)10)8-4(2)7-3/h1-2H3,(H,7,8)(H,9,10)
(3)InChIKey: IYGWFIIGWCNJAR-UHFFFAOYAF