CAS No.13431-10-2,1-Methyl-2-imidazolidinethione Suppliers

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Basic Information

Molecular Structure:
CAS No.:	13431-10-2
Name:	1-Methyl-2-imidazolidinethione
Article Data:	20

Formula:	C₄H₈N₂S
Molecular Weight:	116.187
Synonyms:	1H-Imidazole-2-thiol, 4,5-dihydro-1-methyl-;
EINECS:	200-482-4
Density:	1.21 g/cm³
Melting Point:	144-147 °C(lit.)
Boiling Point:	153.2 °C at 760 mmHg
Flash Point:	46.5 °C
Appearance:	light yellow crystalline flakes
Hazard Symbols:	Xn
Risk Codes:	43-62-63-22
Safety:	26-27-36-45
PSA:	47.36000
LogP:	0.07300

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Specification

The 2-Imidazolidinethione,1-methyl-, with the CAS registry number of 13431-10-2, is also known as 1H-Imidazole-2-thiol, 4,5-dihydro-1-methyl-. Its EINECS registry number is 200-482-4. Its molecular formula is C₄H₈N₂S and molecular weight is 116.19. What's more, its IUPAC name is 1-Methylimidazolidine-2-thione. In addition, it must be stored in airtight containers and placed in a dry, cool place.

Physical properties about the 2-Imidazolidinethione,1-methyl- are: (1)ACD/LogP: -0.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.56; (4)ACD/LogD (pH 7.4): -0.56; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 11.84; (8)ACD/KOC (pH 7.4): 11.84; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 38.57 Å²; (13)Index of Refraction: 1.61; (14)Molar Refractivity: 33.16 cm³; (15)Molar Volume: 95.5 cm³; (16)Surface Tension: 56.2 dyne/cm; (17)Density: 1.21 g/cm³; (18)Flash Point: 46.5 °C; (19)Enthalpy of Vaporization: 39 kJ/mol; (20)Boiling Point: 153.2 °C at 760 mmHg; (21)Vapour Pressure: 3.37 mmHg at 25 °C.

Preparation: this chemical is prepared by reaction of Carbon disulfide with N-Methyl-ethane-1,2-diamine. The reaction needs reagent HCl and solvent Ethanol. The reaction time is 1 h. The yield is about 42 %

The 2-Imidazolidinethione,1-methyl- can be obtained by Carbon disulfide and N-Methyl-ethane-1,2-diamine

Uses: it is used to produce other chemicals. For example, it is used to produce Anhydro-6,7-Dihydro-2-hydroxy-8-methyl-4-oxo-3-phenyl-4H-imidazo[2,1-b][1,3]thiazinium hydroxide. This reaction needs reagent Tetrahydrofuran. The reaction time is 2 h. The yield is about 74 %.

The 2-Imidazolidinethione,1-methyl- can react with Chlorocarbonyl-phenyl-ketene to get Anhydro-6,7-Dihydro-2-hydroxy-8-methyl-4-oxo-3-phenyl-4H-imidazo[2,1-b][1,3]thiazinium hydroxide

When you are using this chemical, please be cautious about it as the following:
As a chemical, it may cause sensitisation by skin contact. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. In addition, during using it, wear suitable protective clothing. Besides, it is harmful if swallowed. In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1) SMILES: S=C1NCCN1C
(2) InChI: InChI=1/C4H8N2S/c1-6-3-2-5-4(6)7/h2-3H2,1H3,(H,5,7)
(3) InChIKey: FDDDTDSPQXLQFY-UHFFFAOYAX