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CAT: 0926-FM72959-01Size: 0.1 gDry Ice: NoHazardous: No

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CAT#:0926-FM72959-01Size:0.1 g

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CAS Number

441771-60-4

Smiles

COCCOCCOCCOCCOCCOCCS

Molecular Formula

C13H28O6S

Molecular Weight

312.42 g/mol

Controlled

Chemical Information

2,5,8,11,14,17-Hexaoxanonadecane-19-thiol

CAS Number	441771-60-4
PubChem CID	53401075
IUPAC Name	2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanethiol
Molecular Formula	C13H28O6S
Molecular Weight	312.42
XLogP	-0.4
Topological Polar Surface Area	56.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	17
Heavy Atom Count	20
Formal Charge	0
Complexity	173

SMILES

COCCOCCOCCOCCOCCOCCS

InChI

InChI=1S/C13H28O6S/c1-14-2-3-15-4-5-16-6-7-17-8-9-18-10-11-19-12-13-20/h20H,2-13H2,1H3

InChIKey

FCNSUDTWFXNQBG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 441771-60-4

CID: 53401075

Formula: C13H28O6S

MW: 312.42

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	312.42
XLogP3	-0.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	17
Exact Mass	312.16065978
Monoisotopic Mass	312.16065978
Topological Polar Surface Area	56.4 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	173
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