60-56-0
Product Name:
Methimazole
Formula:
C4H6N2S
Synonyms:
1-Methyl-2-imidazolethiol;1-Methyl-2-mercaptoimidazole;2-Mercapto-1-methylimidazole;MET;Methimazole
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Color/Form | LEAFLETS FROM ALCOHOL |
| Odor | FAINT, CHARACTERISTIC |
| Boiling Point | 280 °C WITH SOME DECOMP |
| Melting Point | 143-146 °C |
| Solubility | Freely soluble |
| LogP | log Kow = -0.34 |
| Stability/Shelf Life | SENSITIVE TO LIGHT |
| Decomposition | When heated to decomposition it emits very toxic fumes of nitroxides and sulfoxides. |
| pH | SOLN ARE PRACTICALLY NEUTRAL TO LITMUS |
| Collision Cross Section | 117.2 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07  Health Hazard GHS08 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H317:Sensitisation, Skin H319:Serious eye damage/eye irritation |
| Precautionary Statement Codes |
P202:Do not handle until all safety precautions have been read and understood. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P308+P313:IF exposed or concerned: Get medical advice/attention. |
COMPUTED DESCRIPTORS
| Molecular Weight | 114.17 g/mol |
|---|---|
| XLogP3 | -0.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 114.02516937 g/mol |
| Monoisotopic Mass | 114.02516937 g/mol |
| Topological Polar Surface Area | 47.4 Ų |
| Heavy Atom Count | 7 |
| Formal Charge | 0 |
| Complexity | 119 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Methimazole is a member of the class of imidazoles that it imidazole-2-thione in which a methyl group replaces the hydrogen which is attached to a nitrogen. It has a role as an antithyroid drug.