N-Hydroxysuccinimide S-acetylthioacetate

C₈H₉NO₅SCAS 76931-93-6231.22 g/mol

Open in Covalent MOL file

Amide Lactam Sulfide

Properties

Molecular formula: C₈H₉NO₅S
Molar mass: 231.22 g/mol
Exact mass: 231.0201 Da
logP: -0.13Crippen estimate
Polar surface area: 80.8 Å²
H-bond donors / acceptors: 0 / 6
Rotatable bonds: 3

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

76931-93-6

SMILES

CC(=O)SCC(=O)ON1C(=O)CCC1=O

InChIKey

FLCQLSRLQIPNLM-UHFFFAOYSA-N

InChI

InChI=1S/C8H9NO5S/c1-5(10)15-4-8(13)14-9-6(11)2-3-7(9)12/h2-4H2,1H3

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Names and synonyms

1 names

N-Succinimidyl S-acetylthioglycolate

Work with N-Hydroxysuccinimide S-acetylthioacetate

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

Disuccinimidyl glutarate79642-50-552 % similar Bromoacetic acid N-hydroxysuccinimide ester42014-51-752 % similar 3,3′-Dithiobis(succinimidyl propionate)57757-57-050 % similar Disuccinimidyl suberate68528-80-348 % similar Iodoacetic acid N-hydroxysuccinimide ester39028-27-847 % similar Bis-pe21- nhs ester1008402-79-646 % similar Bis(nhs)peg5756526-03-146 % similar Acetic acid N-hydroxysuccinimide ester14464-29-045 % similar

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

Same formula

5-(Aminosulfonyl)-2-methoxybenzoic acid22117-85-7

Elsewhere

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