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CAT: 0926-FM72958-04Size: 2000 mgDry Ice: NoHazardous: No

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CAT#:0926-FM72958-04Size:2000 mg

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

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CAS Number

524030-00-0

Smiles

COCCOCCOCCOCCOCCS

Molecular Formula

C11H24O5S

Molecular Weight

268.37 g/mol

Controlled

Chemical Information

2,5,8,11,14-Pentaoxahexadecane-16-thiol

CAS Number	524030-00-0
PubChem CID	53401076
IUPAC Name	2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethanethiol
Molecular Formula	C11H24O5S
Molecular Weight	268.37
XLogP	-0.2
Topological Polar Surface Area	47.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	14
Heavy Atom Count	17
Formal Charge	0
Complexity	137

SMILES

COCCOCCOCCOCCOCCS

InChI

InChI=1S/C11H24O5S/c1-12-2-3-13-4-5-14-6-7-15-8-9-16-10-11-17/h17H,2-11H2,1H3

InChIKey

PNMCHSOJDWEEKK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 524030-00-0

CID: 53401076

Formula: C11H24O5S

MW: 268.37

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	268.37
XLogP3	-0.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	14
Exact Mass	268.13444504
Monoisotopic Mass	268.13444504
Topological Polar Surface Area	47.2 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	137
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