Propargyl-PEG4-thiol | CAS 1347750-80-4

Name: Propargyl-PEG4-thiol
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog Number	R01-0129
Category	Alkynes
Molecular Formula	C11H20O4S
Molecular Weight	248.34

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Product Introduction

Propargyl-PEG4-thiol is an alkyne-functionalized ADC linker with a terminal thiol for maleimide or disulfide chemistry. It enables flexible bioconjugation in antibody-drug conjugates, offering enhanced solubility, spacer length, and reduced steric hindrance.

Chemical Information
Product Specification
Computed Properties

Synonyms	Alkyne-PEG4-thiol;Propyne-PEG4-SH; 3,6,9,12-Tetraoxapentadec-14-yne-1-thiol
Purity	>98.0%
Shelf Life	0-4°C for short term (days to weeks), or -20°C for long term (months).
IUPAC Name	2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethanethiol
Canonical SMILES	C#CCOCCOCCOCCOCCS
InChI	InChI=1S/C11H20O4S/c1-2-3-12-4-5-13-6-7-14-8-9-15-10-11-16/h1,16H,3-11H2
InChIKey	QFVYBCQBSOIWFU-UHFFFAOYSA-N
Solubility	10 mm in DMSO
Density	1.1±0.1 g/cm3
Appearance	Colorless Liquid
Boiling Point	332.9±37.0 °C at 760 mmHg
Vapor Pressure	0.0±0.7 mmHg at 25°C
LogP	0.09

Storage

Store at -20 °C, keep in dry and avoid sunlight.

XLogP3	0
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	12
Exact Mass	248.10823029 g/mol
Monoisotopic Mass	248.10823029 g/mol
Topological Polar Surface Area	37.9Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	178
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes