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Chemical structure of 3-Mercaptopropionic acid NHS ester

GC60503

3-Mercaptopropionic acid NHS ester

Also known as (2,5-dioxopyrrolidin-1-yl) 3-sulfanylpropanoate

3-Mercaptopropanyl-N-hydroxysuccinimide ester is an alkyl/ether-based PROTAC linker that can be used in the synthesis of PROTACs

ChemicalCAS117235-10-6MW203.22FormulaC7H9NO4S
CAS number
117235-10-6
Molecular weight
203.22
Formula
C7H9NO4S
InChIKey
UTBOEPMMEANMPS-UHFFFAOYSA-N
Catalogue number
GC60503
Brand
GLPBIO
Computed properties PubChem CID 58596382 · XLogP -0.5 · TPSA 64.7 Ų · H-bond donors 1
XLogP
-0.5
TPSA
64.7 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
13

SMILES C1CC(=O)N(C1=O)OC(=O)CCS

Computed descriptors from PubChem (CID 58596382), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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