chempirical

2-Mercaptothiazole

C3H3NS2CAS 5685-05-2117.18 g/mol

Open in Covalent MOL file
HSNS
Thiol

Properties

Molecular formula
C3H3NS2
Molar mass
117.18 g/mol
Exact mass
116.9707 Da
Melting point
80 °C
logP
1.43Crippen estimate
Polar surface area
12.9 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Identifiers

CAS number
5685-05-2
SMILES
Sc1nccs1
InChIKey
OCVLSHAVSIYKLI-UHFFFAOYSA-N
InChI
InChI=1S/C3H3NS2/c5-3-4-1-2-6-3/h1-2H,(H,4,5)

Weigh it out

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

Names and synonyms

10 names
  • 2(3H)-Thiazolethione
  • 4-Thiazoline-2-thione
  • 2-Thiazolethiol
  • 2-Mercapto-1,3-thiazole
  • Thiazoline-2-thione
  • δ4-Thiazoline-2-thione
  • NSC 24294
  • NSC 41217
  • 1,3-Thiazole-2-thiol
  • 2-Thiothiazole

Work with 2-Mercaptothiazole

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-Chlorothiazole3034-52-443 % similar 2-Methylthiazole3581-87-143 % similar 1,3,4-Thiadiazole-2-thiol18686-82-342 % similar 2-Bromothiazole3034-53-542 % similar 2-Ethoxythiazole15679-19-334 % similar 2-Propylthiazole17626-75-434 % similar 2-Thiazolesulfonyl chloride100481-09-233 % similar 2-Isobutylthiazole18640-74-933 % similar

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

Same formula

2-Thiazolethiol82358-09-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook