2-Mercapto-1-methylimidazole 2-Mercapto-1-methylimidazole
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): 146～148
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. Polarizability（10-24cm3):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. Polarizability（10-24cm3):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.
