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CAT: 0926-FM72963-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-FM72963-01Size:100 mg

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

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CAS Number

651042-85-2

Smiles

COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCS

Molecular Formula

C21H44O10S

Molecular Weight

488.63 g/mol

Controlled

Chemical Information

2,5,8,11,14,17,20,23,26,29-Decaoxahentriacontane-31-thiol

CAS Number	651042-85-2
PubChem CID	53400961
IUPAC Name	2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanethiol
Molecular Formula	C21H44O10S
Molecular Weight	488.6
XLogP	-1
Topological Polar Surface Area	93.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	29
Heavy Atom Count	32
Formal Charge	0
Complexity	329

SMILES

COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCS

InChI

InChI=1S/C21H44O10S/c1-22-2-3-23-4-5-24-6-7-25-8-9-26-10-11-27-12-13-28-14-15-29-16-17-30-18-19-31-20-21-32/h32H,2-21H2,1H3

InChIKey

GTRZIOCTKZBYHK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 651042-85-2

CID: 53400961

Formula: C21H44O10S

MW: 488.6

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	488.6
XLogP3	-1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	29
Exact Mass	488.26551877
Monoisotopic Mass	488.26551877
Topological Polar Surface Area	93.3 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	329
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