chempirical

S-Acetylmercaptosuccinic anhydride

C6H6O4SCAS 6953-60-2174.17 g/mol

Open in Covalent MOL file
OSOOO
Acid anhydrideSulfide

Properties

Molecular formula
C6H6O4S
Molar mass
174.17 g/mol
Exact mass
173.9987 Da
Melting point
84–86 °C
logP
0.11Crippen estimate
Polar surface area
60.4 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
1

Identifiers

CAS number
6953-60-2
SMILES
CC(=O)SC1CC(=O)OC1=O
InChIKey
AHTFMWCHTGEJHA-UHFFFAOYSA-N
InChI
InChI=1S/C6H6O4S/c1-3(7)11-4-2-5(8)10-6(4)9/h4H,2H2,1H3

Weigh it out

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

Names and synonyms

7 names
  • Ethanethioic acid, S-(tetrahydro-2,5-dioxo-3-furanyl) ester
  • Succinic anhydride, mercapto-, acetate
  • Acetic acid, thio-, S-ester with mercaptosuccinic anhydride
  • Acetylthiosuccinic anhydride
  • S-Acetylmercaptosuccinic acid anhydride
  • NSC 57456
  • 2-(Acetylthio)succinic anhydride

Work with S-Acetylmercaptosuccinic anhydride

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

Methylsuccinic anhydride4100-80-545 % similar 1,2,3,4-Butanetetracarboxylic dianhydride4534-73-045 % similar (3R)-3-(Acetyloxy)dihydro-2,5-furandione79814-40-743 % similar Dodecylsuccinic anhydride2561-85-537 % similar Isovaleric anhydride1468-39-936 % similar Phenylsuccinic anhydride1131-15-335 % similar 2-Octenylsuccinic anhydride42482-06-433 % similar 3-(2-Dodecen-1-yl)dihydro-2,5-furandione19780-11-133 % similar

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

Same formula

4-Hydroxybenzenesulfonic acid98-67-9

Elsewhere

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