3-Ethylrhodanine

C5H7NOS2CAS 7648-01-3161.24 g/mol

Open in Covalent MOL file
NOSS
AmideLactamSulfide

Properties

Molecular formula
C5H7NOS2
Molar mass
161.24 g/mol
Exact mass
160.9969 Da
Melting point
68 °C
logP
0.87Crippen estimate
Polar surface area
20.3 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
7648-01-3
SMILES
CCN1C(=O)CSC1=S
InChIKey
UPCYEFFISUGBRW-UHFFFAOYSA-N
InChI
InChI=1S/C5H7NOS2/c1-2-6-4(7)3-9-5(6)8/h2-3H2,1H3

Weigh it out

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

Names and synonyms

10 names
  • 4-Thiazolidinone, 3-ethyl-2-thioxo-
  • Rhodanine, 3-ethyl-
  • 3-Ethyl-2-thioxo-4-thiazolidinone
  • N-Ethylrhodanine
  • 3-Ethylrhodamine
  • 3-Ethyl-2-thioxothiazolidin-4-one
  • 3-Ethylthiazolidin-4-one-2-thione
  • NSC 81656
  • 3-Ethyl-2-thioxo-1,3-thiazolidin-4-one
  • 3-Ethyl-2-sulfanylidene-1,3-thiazolidin-4-one

Work with 3-Ethylrhodanine

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-Allylrhodanine1457-47-256 % similar 3-(Carboxymethyl)rhodanine5718-83-256 % similar 3-(4-Oxo-2-thioxothiazolidin-3-yl)propanoic acid7025-19-653 % similar 3-Aminorhodanine1438-16-050 % similar 4-(4-Oxo-2-thioxo-thiazolidin-3-yl)-butyric acid18623-60-450 % similar 1,3-Diethyl-2-thiobarbituric acid5217-47-047 % similar Sulfallate95-06-739 % similar Tetraethylthiuram disulfide97-77-839 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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