chempirical

3-Aminorhodanine

C3H4N2OS2CAS 1438-16-0148.20 g/mol

Open in Covalent MOL file
NH2NOSS
AmideLactamPrimary amineSulfide

Properties

Molecular formula
C3H4N2OS2
Molar mass
148.20 g/mol
Exact mass
147.9765 Da
Melting point
92 °C
logP
-0.28Crippen estimate
Polar surface area
46.3 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
0

Identifiers

CAS number
1438-16-0
SMILES
NN1C(=O)CSC1=S
InChIKey
ZBUUHLDYMKTVLT-UHFFFAOYSA-N
InChI
InChI=1S/C3H4N2OS2/c4-5-2(6)1-8-3(5)7/h1,4H2

Weigh it out

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

Names and synonyms

7 names
  • 4-Thiazolidinone, 3-amino-2-thioxo-
  • Rhodanine, 3-amino-
  • 3-Amino-2-thioxo-4-thiazolidinone
  • N-Aminorhodanine
  • 3-Amino-2-thioxo-1,3-thiazolidin-4-one
  • NSC 23272
  • 3-Amino-2-sulfanylidene-1,3-thiazolidin-4-one

Work with 3-Aminorhodanine

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

3-Ethylrhodanine7648-01-350 % similar 3-Allylrhodanine1457-47-246 % similar 3-(Carboxymethyl)rhodanine5718-83-246 % similar 3-(4-Oxo-2-thioxothiazolidin-3-yl)propanoic acid7025-19-643 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook