chempirical

1,3,4-Thiadiazole-2-thiol

C2H2N2S2CAS 18686-82-3118.17 g/mol

Open in Covalent MOL file
HSNNS
Thiol

Properties

Molecular formula
C2H2N2S2
Molar mass
118.17 g/mol
Exact mass
117.9659 Da
Melting point
143 °C
logP
0.83Crippen estimate
Polar surface area
25.8 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
0

Identifiers

CAS number
18686-82-3
SMILES
Sc1nncs1
InChIKey
JLAMDELLBBZOOX-UHFFFAOYSA-N
InChI
InChI=1S/C2H2N2S2/c5-2-4-3-1-6-2/h1H,(H,4,5)

Weigh it out

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

Names and synonyms

9 names
  • 1,3,4-Thiadiazole-2(3H)-thione
  • δ2-1,3,4-Thiadiazoline-5-thione
  • 5-Mercapto-1,3,4-thiadiazole
  • 2-Mercapto-1,3,4-thiadiazole
  • 1,3,4-Thiadiazole-2-thione
  • 1,3,4-Thiadiazole-5-thiol
  • NSC 184817
  • 1,3,4-Thiadiazol-2-thione
  • CA 1703

Work with 1,3,4-Thiadiazole-2-thiol

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-Mercaptothiazole5685-05-242 % similar 2-Thiazolethiol82358-09-642 % similar 4-Methyl-2(3H)-thiazolethione4498-39-938 % similar 2,5-Dimercapto-1,3,4-thiadiazole1072-71-538 % similar 2-Mercapto-4-phenylthiazole2103-88-032 % similar 4-(4-Pyridinyl)-2(3H)-thiazolethione77168-63-931 % similar

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

Elsewhere

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