| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 9th, 2004 | 7 | No |
Popular Name: Methimazole Methimazole
Find On: PubMed — Wikipedia — Google
CAS Numbers: 223768-14-7 , 60-56-0 , [60-56-0]
"2-Mercapto-1-methylimidazole, 98%"
1,3-Dihydro-1-Methyl-2H-Imidazol-2-Thione
1,3-Dihydro-1-methyl-2H-imidazole-2-thione
1-METHYL-1,3-DIHYDRO-2H-IMIDAZOLE-2-THIONE
1-Methyl-1,3-dihydro-imidazole-2-thione
1-Methyl-1,3-dihydroimidazole-2-thione
1-Methyl-1H-imidazole-2(3H)-thione
1-methyl-2-mercaptoimidazole; 1-methylimidazole-2-thiol; CPD-11282; methimazole
1-Methylimidazole-2(3H)-thione
1-Metylo 2 merkaptoimidazolem [Polish]
2-Mercapto-1-methylimidazole, 98%
2H-Imidazole-2-thione, 1,3-dihydro-1-methyl-
3-methyl-1H-imidazole-2-thione
4-Imidazoline-2-thione, 1-methyl-
60-56-0; C07190; Methimazole; Thiamazole
60-56-0; CPD000058376; Methimazole; SAM002548951
60-56-0; D00401; Methimazole (USP); Tapazole (TN); Thiamazole (JP16/INN)
60-56-0; Methimazole; Prestwick_1010
CPD000058376; Mercaptopurine; Methimazole; SAM002548951
Eli Lilly Brand of Methimazole
Henning Berlin Brand of Methimazole
Imidazole, 1-methyl-2-mercapto-
Mestinon, Regonol, Pyridostigmine Bromide
Methimazole (Tapazole, Northyx)
Nourypharma Brand of Methimazole
Philopharm Brand of Methimazole
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | -0.02 | 3.82 | -17.6 | 1 | 2 | 0 | 21 | 114.173 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Molecular_Solubility | 0.918 | Bitter DB |
| ALOGPS_SOLUBILITY | 1.13e+01 g/l | DrugBank-approved |
| Mp [°C] | 140 - 145 | Acros Organics |
| MP | 144 - 146 | Enamine Building Blocks |
| Melting_Point | 144-147? | Alfa-Aesar |
| Melting_Point | 144-147° | Alfa-Aesar |
| MP | 144...146 | Enamine Building Blocks |
| MP | 145 | TCI |
| BP [°C] | 280 | Acros Organics |
| Boiling_Point | 280? dec. | Alfa-Aesar |
| Boiling_Point | 280° dec. | Alfa-Aesar |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Therapy | antihyperthyroid | SMDC Iconix |
| biological_use | Antithyroid | IBScreen Bioactives IBScreen Bioactives |
| UniProt Database Links | DUOX2_RAT; FMO2_HUMAN; FMO2_MOUSE; FMO3_HUMAN; FMO3_RAT; INHBB_RAT; NPCA_RHOOP; NPCB_RHOOP | ChEBI |
| Patent Database Links | EP1754712; US2004254182; US2005054729; WO2007087623 | ChEBI |
| H phrase | H317: May cause an allergic skin reaction | Acros Organics |
| H phrase | H317: May cause an allergic skin reaction; H361fd: Suspected of damaging fertility. Suspected of damaging the unborn child | Acros Organics |
| PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : Enamine; NCC_SUPPLIER_STRUCTURE_ID : 39532476 | NIH Clinical Collection via PubChem |
| Target | Others | Selleck Chemicals |
| P phrase | P280: Wear eye protection/face protection | Acros Organics |
| P phrase | P280: Wear eye protection/face protection; P281: Use personal protective equipment as required; P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P272: Contaminated work clothing should not be allowed out of the workplace | Acros Organics |
| R phrase | R43: May cause sensitisation by skin contact. | Acros Organics |
| R phrase | R43: May cause sensitisation by skin contact.; R62: Possible risk of impaired fertility.; R63: Possible risk of harm to the unborn child. | Acros Organics |
| Reactome Database Links | REACT_13821 | ChEBI |
| S phrase | S36/37: Wear suitable protective clothing and gloves. | Acros Organics |
| PUBCHEM_SUBSTANCE_COMMENT | SAMPLE_SUPPLIER: Enamine; SUPPLIER_STRUCTURE_ID: 39532476 | NIH Clinical Collection via PubChem |
| mechanism | Thyroid hormone synthesis inhibitor | IBScreen Bioactives |
| biological_use | Used in treatment of hyperthyroidism | IBScreen Bioactives |
| Hazard | XN: Harmful | Acros Organics |
| Description | Species |
|---|---|
| FMO oxidizes nucleophiles |
No pre-computed analogs available. Try a structural similarity search.