2H-Imidazole-2-thione,1,3-dihydro-4-methyl- supplier

Name
2-CHLOROMETHYL-5-(4-CHLOROPHENYL)-1,3,4-THIADIAZOLE
EINECS
CAS No. 3247-70-9
Density 1.26 g/cm³
Solubility
Melting Point 247°C
Formula C₄H₆N₂S
Boiling Point 165.4 °C at 760 mmHg
Molecular Weight 114.171
Flash Point 53.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Imidazoline-2-thione,4-methyl- (7CI,8CI);2-Mercapto-4-methylimidazole;2-Mercapto-5-methylimidazole;4-Methyl-2-imidazolethiol;4-Methyl-2-imidazolinethione;4-Methyl-2-mercaptoimidazole;
PSA 67.48000
LogP 1.00680

2H-Imidazole-2-thione,1,3-dihydro-4-methyl- Specification

The CAS register number of 2H-Imidazole-2-thione,1,3-dihydro-4-methyl- is 3247-70-9. It also can be called as 2-Mercapto-5-methylimidazole and the IUPAC name about this chemical is 4-methyl-1,3-dihydroimidazole-2-thione. The molecular formula about this chemical is C₄H₆N₂S and the molecular weight is 114.16504.

Physical properties about 2H-Imidazole-2-thione,1,3-dihydro-4-methyl- are: (1)ACD/LogP: 0.80; (2)ACD/LogD (pH 5.5): 0.8; (3)ACD/LogD (pH 7.4): 0.8; (4)ACD/BCF (pH 5.5): 2.41; (5)ACD/BCF (pH 7.4): 2.4; (6)ACD/KOC (pH 5.5): 65.23; (7)ACD/KOC (pH 7.4): 65.22; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)Polar Surface Area: 38.57 Å²; (11)Index of Refraction: 1.645; (12)Molar Refractivity: 32.61 cm³; (13)Molar Volume: 89.9 cm³; (14)Polarizability: 12.92x10^-24cm³; (15)Surface Tension: 57.4 dyne/cm; (16)Density: 1.26 g/cm³; (17)Flash Point: 53.8 °C; (18)Enthalpy of Vaporization: 40.19 kJ/mol; (19)Boiling Point: 165.4 °C at 760 mmHg; (20)Vapour Pressure: 1.88 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
This substance is harmful to the environment, especially water should be given attention. If you want to store it, you should keep the container tightly sealed in dry, cool places. 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
(2)InChI: InChI=1/C4H6N2S/c1-3-2-5-4(7)6-3/h2H,1H3,(H2,5,6,7)
(3)InChIKey: SBQPDLGIWJRKBS-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C4H6N2S/c1-3-2-5-4(7)6-3/h2H,1H3,(H2,5,6,7)
(5)Std. InChIKey: SBQPDLGIWJRKBS-UHFFFAOYSA-N

Product Name

2-CHLOROMETHYL-5-(4-CHLOROPHENYL)-1,3,4-THIADIAZOLE

2H-Imidazole-2-thione,1,3-dihydro-4-methyl- Specification

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