Didecylsulfane

CAT: 0127-OR1024691-02Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR1024691-02Size:5 g

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CAS Number

693-83-4

Synonyms

1-decylsulfanyldecane

Purity

97%

Smiles

CCCCCCCCCCSCCCCCCCCCC

Chemical Information

Decane, 1,1'-thiobis-

CAS Number	693-83-4
PubChem CID	69662
IUPAC Name	1-decylsulfanyldecane
Molecular Formula	C20H42S
Molecular Weight	314.6
XLogP	9.9
Topological Polar Surface Area	25.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	18
Heavy Atom Count	21
Formal Charge	0
Complexity	149

SMILES

CCCCCCCCCCSCCCCCCCCCC

InChI

InChI=1S/C20H42S/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3

InChIKey

RKYMVQJWYYOIJB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 693-83-4

CID: 69662

Formula: C20H42S

MW: 314.6

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	314.6
XLogP3	9.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	18
Exact Mass	314.30072251
Monoisotopic Mass	314.30072251
Topological Polar Surface Area	25.3 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	149
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

Catalog	Name
OR1029624-01	1,2-Didecyldisulfane