Toluene diisocyanate manufacturer Knowledge 2-Mercapto-1-methylimidazole 2-Mercapto-1-methylimidazole

2-Mercapto-1-methylimidazole 2-Mercapto-1-methylimidazole

2-mercapto-1-methylimidazole structural formula

Structural formula

Business number 01BJ
Molecular formula C4H6N2S
Molecular weight 114.17
label

1-Methyl-2-imidazolethiol,

2-Mercapto-1-methylimidazole,

Methimazole

Numbering system

CAS number:60-56-0

MDL number:MFCD00179321

EINECS number:200-482-4

RTECS number:NI8615000

BRN number:108646

PubChem number:24858194

Physical property data

1. Character: small leaves crystal-like.


2. Density (g/mL,25/4 ℃): Undetermined


3. Relative vapor density (g/mL,Air=1 ): Undetermined


4. Melting point (ºC): 146148


5. Boiling point (ºC,Normal pressure): 280℃ (Microdecomposition)


6. Boiling point (ºC,5.2kPa): Not OK


7. Refractive index: not OK


8. Flashpoint (ºC): Undetermined


9. Specific optical rotation ( º): Undetermined


10. Spontaneous ignition point or ignition Combustion temperature (ºC) : Undetermined


11. Vapor pressure (kPa,25ºC): Not OK


12. Saturation vapor pressure ( kPa,60ºC): Undetermined


18. Lower explosion limit (%,V/V): Undetermined


19. Solubility: Easy Soluble in water, soluble in ethanol and chloroform, slightly soluble in ether, petroleum ether and benzene.

Toxicological data

None yet

Ecological data

None yet

Molecular structure data


1. Molar refractive index: 32.57


2. Molar volume (m3/mol):91.2


3. isotonic specific volume (90.2K):229.1


4. Surface Tension (dyne/cm):39.7


5. Polarizability10-24cm3):12.91

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: 2

6. Topological molecule polar surface area 47.4

7. Number of heavy atoms: 7

8. Surface charge: 0

9. Complexity: 119

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None yet

Storage method

This product should be kept sealed.

Synthesis method

Prepared by the reaction of aminoacetaldehyde diethyl acetal and methyl isothiocyanate. It can also be obtained from thiocyanic acid and N-Prepared by the reaction of substituted amino acetals. It can also be obtained from thiocyanic acid and N-Prepared by the reaction of substituted amino acetals.

Purpose

Antihyperthyroidism. Cyanide-free silver electroplating.

Surface Tension (dyne/cm):39.7


5. Polarizability10-24cm3):12.91

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: 2

6. Topological molecule polar surface area 47.4

7. Number of heavy atoms: 7

8. Surface charge: 0

9. Complexity: 119

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None yet

Storage method

This product should be kept sealed.

Synthesis method

Prepared by the reaction of aminoacetaldehyde diethyl acetal and methyl isothiocyanate. It can also be obtained from thiocyanic acid and N-Prepared by the reaction of substituted amino acetals. It can also be obtained from thiocyanic acid and N-Prepared by the reaction of substituted amino acetals.

Purpose

Antihyperthyroidism. Cyanide-free silver electroplating.

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