chempirical

Rhodanine

C3H3NOS2CAS 141-84-4133.18 g/mol

Open in Covalent MOL file
OHNSS
Sulfide

Properties

Molecular formula
C3H3NOS2
Molar mass
133.18 g/mol
Exact mass
132.9656 Da
Density
0.87 g/mL
Melting point
170 °C
logP
0.97Crippen estimate
Polar surface area
32.6 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Identifiers

CAS number
141-84-4
SMILES
OC1=NC(=S)SC1
InChIKey
KIWUVOGUEXMXSV-UHFFFAOYSA-N
InChI
InChI=1S/C3H3NOS2/c5-2-1-7-3(6)4-2/h1H2,(H,4,5,6)

Weigh it out

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

Names and synonyms

15 names · show all
  • 4-Thiazolidinone, 2-thioxo-
  • 2-Thioxo-4-thiazolidinone
  • 4-Oxo-2-thionothiazolidine
  • 2-Thio-4-ketothiazolidine
  • Rhodaninic acid
  • 4-Thiazolidinone-2-thione
  • 4-Oxo-1,3-thiazolidine-2-thione
  • 4-Oxo-2-thioxothiazolidine
  • 4-Oxo-2-thiazolidinethione
  • NSC 1899
  • 2-Thioxo-1,3-thiazolidin-4-one
  • 2-Thio-4-thiazolinone
  • 2-Mercaptothiazol-4(5H)-one
  • AMT-ZP
  • 2-Sulfanylidene-1,3-thiazolidin-4-one

Reactions

Work with Rhodanine

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

Thiazolidinedione2295-31-048 % similar Thiobarbituric acid504-17-637 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia