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N-Decyl methyl sulfide

CAT: 0024-sc-269827Size: 10 gDry Ice: NoHazardous: No
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CAT#:0024-sc-269827Size:10 g
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CAS Number
22438-39-7

Chemical Information

Decyl methyl sulphide
CAS Number22438-39-7
PubChem CID89712
IUPAC Name1-methylsulfanyldecane
Molecular FormulaC11H24S
Molecular Weight188.38
XLogP5.9
Topological Polar Surface Area25.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count9
Heavy Atom Count12
Formal Charge0
Complexity71
SMILES
CCCCCCCCCCSC
InChI
InChI=1S/C11H24S/c1-3-4-5-6-7-8-9-10-11-12-2/h3-11H2,1-2H3
InChIKey
HKGUUZAACYBIID-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Decyl methyl sulphide
CAS: 22438-39-7
CID: 89712
Formula: C11H24S
MW: 188.38
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight188.38
XLogP35.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count9
Exact Mass188.15987194
Monoisotopic Mass188.15987194
Topological Polar Surface Area25.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity71.4
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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