chempirical

2-Imidazolidinethione

C3H4N2SCAS 872-35-5100.14 g/mol

Open in Covalent MOL file
HSNHN
Thiol

Properties

Molecular formula
C3H4N2S
Molar mass
100.14 g/mol
Exact mass
100.0095 Da
Melting point
225–227 °C
logP
0.70Crippen estimate
Polar surface area
28.7 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
0

Identifiers

CAS number
872-35-5
SMILES
Sc1ncc[nH]1
InChIKey
OXFSTTJBVAAALW-UHFFFAOYSA-N
InChI
InChI=1S/C3H4N2S/c6-3-4-1-2-5-3/h1-2H,(H2,4,5,6)

Weigh it out

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

Names and synonyms

14 names · show all
  • 2H-Imidazole-2-thione, 1,3-dihydro-
  • Imidazole-2-thiol
  • 4-Imidazoline-2-thione
  • 2-Imidazolemercaptan
  • 1,3-Dihydro-2H-imidazole-2-thione
  • 2-Mercaptoimidazole
  • 1H-Imidazole-2-thiol
  • 2-Thioxo-2,3-dihydroimidazole
  • 1,3-Vinylenethiourea
  • 2-Mercapto-1H-imidazole
  • 1,3-Dihydroimidazole-2-thione
  • NSC 112715
  • 2-Thioimidazole
  • 1-Imidazole-2(3H)-thione

Work with 2-Imidazolidinethione

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

2,2′-Biimidazole492-98-848 % similar 2-Chloro-1H-imidazole16265-04-642 % similar 1,3-Dihydro-2H-imidazol-2-one5918-93-442 % similar 2-Methylimidazole693-98-142 % similar 2-Thiocytosine333-49-339 % similar Imidazole-2-carboxaldehyde10111-08-738 % similar 2-Ethylimidazole1072-62-437 % similar 2-Isopropylimidazole36947-68-937 % similar

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

Same formula

Cyanothioacetamide7357-70-2 2-Aminothiazole96-50-4

Elsewhere

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