CAS No.143122-18-3,(2-MERCAPTO-1-METHYL-1H-IMIDAZOL-5-YL)METHANOL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	143122-18-3
Name:	(2-MERCAPTO-1-METHYL-1H-IMIDAZOL-5-YL)METHANOL
Article Data:	8

Formula:	C₅H₈N₂OS
Molecular Weight:	144.197
Synonyms:	(1-Methyl-2-mercaptoimidazol-5-yl)methanol;(1-Methyl-2-sulfanyl-1H-imidazol-5-yl)methanol;1-Methyl-5-(hydroxymethyl)-2-mercaptoimidazole;5-(Hydroxymethyl)-2-mercapto-1-methylimidazole;
Density:	1.39 g/cm³
Melting Point:	223-226 °C
Boiling Point:	258.9 °C at 760 mmHg
Flash Point:	110.4 °C
PSA:	76.85000
LogP:	0.20110

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Specification

The 2H-Imidazole-2-thione, 1, 3-dihydro-5-(hydroxymethyl)-1-methyl-, with the CAS registry number 143122-18-3, is also known as (2-Mercapto-1-methyl-1H-imidazol-5-yl)methanol. This chemical's molecular formula is C₅H₈N₂OS and molecular weight is 144.19. What's more, its IUPAC name is 4-(Hydroxymet hyl)-3-methyl-1H-imidazole-2-thione.

Physical properties about 2H-Imidazole-2-thione, 1, 3-dihydro-5-(hydroxymethyl)-1-methyl- are: (1)ACD/LogP: -0.13; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 47.8 Å²; (11)Index of Refraction: 1.68; (12)Molar Refractivity: 39.01 cm³; (13)Molar Volume: 103.2 cm³; (14)Polarizability: 15.46×10^-24 cm³; (15)Surface Tension: 74 dyne/cm; (16)Density: 1.39 g/cm³; (17)Flash Point: 110.4 °C; (18)Enthalpy of Vaporization: 57.68 kJ/mol; (19)Boiling Point: 258.9 °C at 760 mmHg; (20)Vapour Pressure: 0.00196 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: S=C1N(\C(=C/N1)CO)C
(2) InChI: InChI=1/C5H8N2OS/c1-7-4(3-8)2-6-5(7)9/h2,8H,3H2,1H3,(H,6,9)
(3) InChIKey: GXYFRGKYSBWAEO-UHFFFAOYAN