2H-Imidazole-2-thione,1-(2,3-dimethylphenyl)-1,3-dihydro- supplier

Name
1-(2,3-DIMETHYLPHENYL)-1H-IMIDAZOLE-2-THIOL
EINECS
CAS No. 17452-16-3
Density 1.23g/cm³
Solubility
Melting Point
Formula C₁₁H₁₂N₂S
Boiling Point 326.9 °C at 760 mmHg
Molecular Weight 204.296
Flash Point 151.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Imidazole-2-thiol,1-(2,3-xylyl)- (8CI);
PSA 56.62000
LogP 2.77780

2H-Imidazole-2-thione,1-(2,3-dimethylphenyl)-1,3-dihydro- Specification

The 2H-Imidazole-2-thione,1-(2,3-dimethylphenyl)-1,3-dihydro-, with CAS registry number 17452-16-3, has the systematic name of 1-(2,3-dimethylphenyl)-1,3-dihydro-2H-imidazole-2-thione. Besides this, it is also called 1H-imidazole-2-thiol, 1-(2,3-dimethylphenyl)-. And the chemical formula of this chemical is C₁₁H₁₂N₂S.

Physical properties of 2H-Imidazole-2-thione,1-(2,3-dimethylphenyl)-1,3-dihydro-: (1)ACD/LogP: 2.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.72; (4)ACD/LogD (pH 7.4): 1.71; (5)ACD/BCF (pH 5.5): 3.24; (6)ACD/BCF (pH 7.4): 3.21; (7)ACD/KOC (pH 5.5): 17.39; (8)ACD/KOC (pH 7.4): 17.23; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 38.57 Å²; (13)Index of Refraction: 1.678; (14)Molar Refractivity: 62.4 cm³; (15)Molar Volume: 165.5 cm³; (16)Polarizability: 24.73×10^-24cm³; (17)Surface Tension: 59.5 dyne/cm; (18)Density: 1.23 g/cm³; (19)Flash Point: 151.5 °C; (20)Enthalpy of Vaporization: 56.91 kJ/mol; (21)Boiling Point: 326.9 °C at 760 mmHg; (22)Vapour Pressure: 0.000209 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: S=C2N(c1c(c(ccc1)C)C)\C=C/N2
(2)InChI: InChI=1/C11H12N2S/c1-8-4-3-5-10(9(8)2)13-7-6-12-11(13)14/h3-7H,1-2H3,(H,12,14)
(3)InChIKey: PQERDOPEWJNMPK-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C11H12N2S/c1-8-4-3-5-10(9(8)2)13-7-6-12-11(13)14/h3-7H,1-2H3,(H,12,14)
(5)Std. InChIKey: PQERDOPEWJNMPK-UHFFFAOYSA-N

Product Name

1-(2,3-DIMETHYLPHENYL)-1H-IMIDAZOLE-2-THIOL

2H-Imidazole-2-thione,1-(2,3-dimethylphenyl)-1,3-dihydro- Specification

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