chempirical

Methimazole

C4H6N2SCAS 60-56-0114.17 g/mol

Open in Covalent MOL file
NNHS
Thiol

Properties

Molecular formula
C4H6N2S
Molar mass
114.17 g/mol
Exact mass
114.0252 Da
Density
1.35 g/mL
Melting point
146–148 °C
Boiling point
280 °C
logP
0.71Crippen estimate
Polar surface area
17.8 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Identifiers

CAS number
60-56-0
SMILES
Cn1ccnc1S
InChIKey
PMRYVIKBURPHAH-UHFFFAOYSA-N
InChI
InChI=1S/C4H6N2S/c1-6-3-2-5-4(6)7/h2-3H,1H3,(H,5,7)

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

44 names · show all
  • 2H-Imidazole-2-thione, 1,3-dihydro-1-methyl-
  • Imidazole-2-thiol, 1-methyl-
  • 4-Imidazoline-2-thione, 1-methyl-
  • 1,3-Dihydro-1-methyl-2H-imidazole-2-thione
  • Basolan
  • Danantizol
  • Favistan
  • Frentirox
  • Mercaptazole
  • 2-Mercapto-1-methylimidazole
  • Mercazole
  • Mercazolyl
  • Metazolo
  • 1-Methyl-2-mercaptoimidazole
  • Metothyrine
  • Tapazole
  • Thacapzol
  • Thiamazole
  • Metothyrin
  • Thycapzol
  • Methimazol
  • Thymidazole
  • 1-Methyl-1H-imidazole-2-thiol
  • 1-Methylimidazole-2-thiol
  • Metotirin
  • Strumazol
  • Thiamazol
  • Thymidazol
  • N-Methyl-2-mercaptoimidazole
  • 1-Methyl-4-imidazoline-2-thione
  • 1-Methyl-2-mercapto-1H-imidazole
  • 1-Methylimidazole-2(3H)-thione
  • 2-Mercapto-1-methyl-1H-imidazole
  • N-Methylimidazolethiol
  • 1-Methyl-1,3-dihydroimidazole-2-thione
  • 1-Methylimidazole-2-thione
  • 2-Mercapto-N-methylimidazole
  • NSC 38608
  • MMI
  • Methylmercaptoimidazole
  • Metizol
  • Thyrozol
  • 1-Methyl-2,3-dihydro-1H-imidazole-2-thione
  • 3-Methyl-1H-imidazole-2-thione

Work with Methimazole

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,2-Dimethylimidazole1739-84-050 % similar 2-Bromo-1-methyl-1H-imidazole16681-59-748 % similar 4-Methyl-4H-1,2,4-triazole-3-thiol24854-43-143 % similar 1,3-Dihydro-1-phenyl-2H-imidazole-2-thione17452-09-442 % similar 1-Methyl-1H-imidazole-2-carboxylic acid20485-43-239 % similar Ethyl 1-methylimidazole-2-carboxylate30148-21-138 % similar 1,3-Dihydro-1-[2-(trifluoromethyl)phenyl]-2H-imidazole-2-thione25372-17-233 % similar 4-Methyl-5-(pyridin-4-yl)-4H-[1,2,4]triazole-3-thiol3652-32-231 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Amino-4-methylthiazole1603-91-4 2,5-Dimethyl-1,3,4-thiadiazole27464-82-0 2-Amino-5-methylthiazole7305-71-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook