chempirical

4-Methyl-2(3H)-thiazolethione

C4H5NS2CAS 4498-39-9131.21 g/mol

Open in Covalent MOL file
SSHN
Thiol

Properties

Molecular formula
C4H5NS2
Molar mass
131.21 g/mol
Exact mass
130.9863 Da
Melting point
89.3 °C
Boiling point
188 °C (at 3 Torr)
logP
1.74Crippen estimate
Polar surface area
12.9 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Identifiers

CAS number
4498-39-9
SMILES
Cc1csc(S)n1
InChIKey
NLHAIPFBNQZTMY-UHFFFAOYSA-N
InChI
InChI=1S/C4H5NS2/c1-3-2-7-4(6)5-3/h2H,1H3,(H,5,6)

Weigh it out

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

Names and synonyms

11 names
  • 2(3H)-Thiazolethione, 4-methyl-
  • 4-Thiazoline-2-thione, 4-methyl-
  • 2-Thiazolethiol, 4-methyl-
  • 4-Methylthiazoline-2-thione
  • 2-Mercapto-4-methylthiazole
  • 4-Methyl-4-thiazoline-2-thione
  • 4-Methyl-2-mercaptothiazole
  • 4-Methyl-2-thiazolethiol
  • 2-Mercapto-4-methyl-1,3-thiazole
  • 4-Methylthiazole-2-thione
  • NSC 40808

Work with 4-Methyl-2(3H)-thiazolethione

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-Ethyl-4-methylthiazole15679-12-646 % similar 2-Isopropyl-4-methylthiazole15679-13-746 % similar 2-Mercapto-4-phenylthiazole2103-88-043 % similar 4-Methyl-2-(2-methylpropyl)thiazole61323-24-842 % similar 4-(4-Pyridinyl)-2(3H)-thiazolethione77168-63-942 % similar 4-Methyl-2-thiazolecarboxylic acid14542-16-641 % similar 1,3,4-Thiadiazole-2-thiol18686-82-338 % similar 4,6-Dimethyl-2-mercaptopyrimidine22325-27-538 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook