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CAT: 0926-FM72957-01Size: 0.1 gDry Ice: NoHazardous: No

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CAT#:0926-FM72957-01Size:0.1 g

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CAS Number

52190-55-3

Synonyms

2,5,8,11-Tetraoxatridecane-13-thiol

MDL Number

MFCD07778621

Smiles

COCCOCCOCCOCCS

Molecular Formula

C9H20O4S

Molecular Weight

224.32 g/mol

Controlled

Chemical Information

2,5,8,11-Tetraoxatridecane-13-thiol

CAS Number	52190-55-3
PubChem CID	53400964
IUPAC Name	2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanethiol
Molecular Formula	C9H20O4S
Molecular Weight	224.32
XLogP	-0.1
Topological Polar Surface Area	37.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	11
Heavy Atom Count	14
Formal Charge	0
Complexity	103

SMILES

COCCOCCOCCOCCS

InChI

InChI=1S/C9H20O4S/c1-10-2-3-11-4-5-12-6-7-13-8-9-14/h14H,2-9H2,1H3

InChIKey

VXEBAWYHFQRROQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 52190-55-3

CID: 53400964

Formula: C9H20O4S

MW: 224.32

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	224.32
XLogP3	-0.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	11
Exact Mass	224.10823029
Monoisotopic Mass	224.10823029
Topological Polar Surface Area	37.9 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	103
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