Thiol-C9-PEG4

CAT: 0127-BUP22275-02Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP22275-02Size:5 mg

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

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CAS Number

130727-41-2

Synonyms

Thiol-C9-PEG4

Purity

≥95%

Smiles

OCCOCCOCCOCCCCCCCCCCCS

Chemical Information

1-(9-Mercaptononyl)-3,6,9-trioxaundecan-11-OL

CAS Number	130727-41-2
PubChem CID	4592043
IUPAC Name	2-[2-[2-(11-sulfanylundecoxy)ethoxy]ethoxy]ethanol
Molecular Formula	C17H36O4S
Molecular Weight	336.5
XLogP	3.6
Topological Polar Surface Area	48.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	19
Heavy Atom Count	22
Formal Charge	0
Complexity	193

SMILES

C(CCCCCOCCOCCOCCO)CCCCCS

InChI

InChI=1S/C17H36O4S/c18-10-12-20-14-16-21-15-13-19-11-8-6-4-2-1-3-5-7-9-17-22/h18,22H,1-17H2

InChIKey

FASSFROSROBIBE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 130727-41-2

CID: 4592043

Formula: C17H36O4S

MW: 336.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	336.5
XLogP3	3.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	19
Exact Mass	336.23343080
Monoisotopic Mass	336.23343080
Topological Polar Surface Area	48.9 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	193
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