3-Allylrhodanine

C6H7NOS2CAS 1457-47-2173.25 g/mol

Open in Covalent MOL file
NOSS
AlkeneAmideLactamSulfide

Properties

Molecular formula
C6H7NOS2
Molar mass
173.25 g/mol
Exact mass
172.9969 Da
Melting point
46–48 °C
logP
1.03Crippen estimate
Polar surface area
20.3 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
1457-47-2
SMILES
C=CCN1C(=O)CSC1=S
InChIKey
GYGUTBCTEJBRAN-UHFFFAOYSA-N
InChI
InChI=1S/C6H7NOS2/c1-2-3-7-5(8)4-10-6(7)9/h2H,1,3-4H2

Weigh it out

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

Names and synonyms

9 names
  • 4-Thiazolidinone, 3-(2-propen-1-yl)-2-thioxo-
  • Rhodanine, 3-allyl-
  • 4-Thiazolidinone, 3-(2-propenyl)-2-thioxo-
  • 3-(2-Propen-1-yl)-2-thioxo-4-thiazolidinone
  • 3-Allyl-4-oxo-2-thioxothiazolidine
  • N-Allylrhodanine
  • NSC 43395
  • 3-Allyl-2-thioxothiazolidin-4-one
  • 3-Prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one

Work with 3-Allylrhodanine

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-Ethylrhodanine7648-01-356 % similar 3-(Carboxymethyl)rhodanine5718-83-251 % similar 3-(4-Oxo-2-thioxothiazolidin-3-yl)propanoic acid7025-19-649 % similar 4-(4-Oxo-2-thioxo-thiazolidin-3-yl)-butyric acid18623-60-446 % similar 3-Aminorhodanine1438-16-046 % similar Dichlormid37764-25-330 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook