chempirical

Erdosteine

C8H11NO4S2CAS 84611-23-4249.30 g/mol

Open in Covalent MOL file
OOHSOHNSO
Carboxylic acidSulfide

Properties

Molecular formula
C8H11NO4S2
Molar mass
249.30 g/mol
Exact mass
249.0130 Da
Melting point
156–158 °C
logP
0.79Crippen estimate
Polar surface area
87.0 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
5

Identifiers

CAS number
84611-23-4
SMILES
O=C(O)CSCC(O)=NC1CCSC1=O
InChIKey
QGFORSXNKQLDNO-UHFFFAOYSA-N
InChI
InChI=1S/C8H11NO4S2/c10-6(3-14-4-7(11)12)9-5-1-2-15-8(5)13/h5H,1-4H2,(H,9,10)(H,11,12)

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

Names and synonyms

10 names
  • Acetic acid, 2-[[2-oxo-2-[(tetrahydro-2-oxo-3-thienyl)amino]ethyl]thio]-
  • Acetic acid, [[2-oxo-2-[(tetrahydro-2-oxo-3-thienyl)amino]ethyl]thio]-
  • 2-[[2-Oxo-2-[(tetrahydro-2-oxo-3-thienyl)amino]ethyl]thio]acetic acid
  • RV 144
  • Dithiosteine
  • Secresolv
  • Erdostin
  • Mucotec
  • 2-[2-Oxo-2-[(2-oxothiolan-3-yl)amino]ethyl]sulfanylacetic acid
  • 2-([[(2-Oxothiolan-3-yl)carbamoyl]methyl]sulfanyl)acetic acid

Work with Erdosteine

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

Citiolone1195-16-053 % similar Citiolone17896-21-853 % similar Thiodiglycolic acid123-93-345 % similar 2,2′-[Methylenebis(thio)]bis[acetic acid]2068-24-839 % similar Glycyl-L-glutamic acid7412-78-438 % similar Glycyl-L-aspartic acid4685-12-537 % similar 2-(Ethylthio)acetic acid627-04-336 % similar 6-Oxo-2-piperidinecarboxylic acid3770-22-735 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook