chempirical

Stepronin

C10H11NO4S2CAS 72324-18-6273.32 g/mol

Open in Covalent MOL file
SOSONHOOH
Carboxylic acidSulfide

Properties

Molecular formula
C10H11NO4S2
Molar mass
273.32 g/mol
Exact mass
273.0130 Da
Melting point
168–170 °C
logP
2.05Crippen estimate
Polar surface area
87.0 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
5

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
72324-18-6
SMILES
CC(SC(=O)c1cccs1)C(O)=NCC(=O)O
InChIKey
JNYSEDHQJCOWQU-UHFFFAOYSA-N
InChI
InChI=1S/C10H11NO4S2/c1-6(9(14)11-5-8(12)13)17-10(15)7-3-2-4-16-7/h2-4,6H,5H2,1H3,(H,11,14)(H,12,13)

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

Names and synonyms

6 names
  • Glycine, N-[1-oxo-2-[(2-thienylcarbonyl)thio]propyl]-
  • N-[1-Oxo-2-[(2-thienylcarbonyl)thio]propyl]glycine
  • Prostenoglycine
  • Tiase
  • Bronco-plus
  • TTPG

Work with Stepronin

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

γ-Oxo-2-thiophenebutanoic acid4653-08-141 % similar Tiopronin1953-02-240 % similar Thiorphan76721-89-638 % similar Hippuric acid495-69-237 % similar Leucylglycine615-82-737 % similar L-Leucylglycine686-50-037 % similar Thiophene-2-acetic acid1918-77-036 % similar 2-Thiophenebutanoic acid4653-11-636 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook