M-PEG3-SH

CAT: 0127-BUP16169Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP16169Size:50 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

31521-83-2

Synonyms

M-PEG3-Thiol, 2- (2- (2-Methoxyethoxy) Ethoxy) Ethanethiol

Purity

=95%

Smiles

COCCOCCOCCS

Chemical Information

2-(2-(2-Methoxyethoxy)ethoxy)ethanethiol

CAS Number	31521-83-2
PubChem CID	11063015
IUPAC Name	2-[2-(2-methoxyethoxy)ethoxy]ethanethiol
Molecular Formula	C7H16O3S
Molecular Weight	180.27
XLogP	-0.1
Topological Polar Surface Area	28.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Heavy Atom Count	11
Formal Charge	0
Complexity	70

SMILES

COCCOCCOCCS

InChI

InChI=1S/C7H16O3S/c1-8-2-3-9-4-5-10-6-7-11/h11H,2-7H2,1H3

InChIKey

DMFFSDWRRLCKKN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 31521-83-2

CID: 11063015

Formula: C7H16O3S

MW: 180.27

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	180.27
XLogP3	-0.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Exact Mass	180.08201554
Monoisotopic Mass	180.08201554
Topological Polar Surface Area	28.7 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	70.7
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