chempirical

1,3-Dimethylimidazole-2(3H)-thione

C5H8N2SCAS 6596-81-2128.19 g/mol

Open in Covalent MOL file
NNS

Properties

Molecular formula
C5H8N2S
Molar mass
128.19 g/mol
Exact mass
128.0408 Da
logP
1.09Crippen estimate
Polar surface area
9.9 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
6596-81-2
SMILES
CN1C=CN(C1=S)C
InChIKey
ZYPLZLQKRFFKCL-UHFFFAOYSA-N
InChI
InChI=1S/C5H8N2S/c1-6-3-4-7(2)5(6)8/h3-4H,1-2H3

Weigh it out

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Names and synonyms

14 names · show all
  • 1,3-Dimethylimidazole-2-thione
  • 1,3-Dimethyl-2,3-dihydro-1H-imidazole-2-thione
  • 2-Thioxo-1,3-dimethyl-1H-imidazole
  • 1,3-Dimethyl-1H-imidazole-2(3H)-thione
  • 1,3-Dimethylimidazoline-2-thione
  • 1,3-Dimethyl-1,3-dihydro-2H-imidazole-2-thione
  • 1,3-Dimethyl-2(3h)-imidazolethione
  • 2H-Imidazole-2-thione, 1,3-dihydro-1,3-dimethyl-
  • 1,3-Dimethyl-1,3-dihydro-imidazole-2-thione
  • 4-Imidazoline-2-thione, 1,3-dimethyl-
  • 1,3-Dihydro-1,3-dimethyl-2H-imidazole-2-thione
  • 1,3-Dimethyl-2-thioketoimidazole
  • 4-Imidazoline-2-thione,3-dimethyl-
  • 2H-Imidazole-2-thione,3-dihydro-1,3-dimethyl-

Reactions

Work with 1,3-Dimethylimidazole-2(3H)-thione

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Carbimazole22232-54-842 % similar 1,1'-Dimethyl-1H,1'H-[2,2']biimidazolyl37570-94-833 % similar 1,2-Dimethylimidazole1739-84-031 % similar

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

Same formula

4,5-Dimethyl-1,3-thiazol-2-amine2289-75-0

Elsewhere

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