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CAT#:0926-FM72961-05Size:1 g

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CAS Number

651042-83-0

MDL Number

MFCD16619328

Smiles

COCCOCCOCCOCCOCCOCCOCCOCCS

Molecular Formula

C17H36O8S

Molecular Weight

400.53 g/mol

Controlled

Chemical Information

2,5,8,11,14,17,20,23-Octaoxapentacosane-25-thiol

CAS Number	651042-83-0
PubChem CID	53400963
IUPAC Name	2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanethiol
Molecular Formula	C17H36O8S
Molecular Weight	400.5
XLogP	-0.7
Topological Polar Surface Area	74.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	23
Heavy Atom Count	26
Formal Charge	0
Complexity	249

SMILES

COCCOCCOCCOCCOCCOCCOCCOCCS

InChI

InChI=1S/C17H36O8S/c1-18-2-3-19-4-5-20-6-7-21-8-9-22-10-11-23-12-13-24-14-15-25-16-17-26/h26H,2-17H2,1H3

InChIKey

LWTPDVASPXFETP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 651042-83-0

CID: 53400963

Formula: C17H36O8S

MW: 400.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	400.5
XLogP3	-0.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	23
Exact Mass	400.21308928
Monoisotopic Mass	400.21308928
Topological Polar Surface Area	74.8 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	249
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