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Diamyl Disulfide

CAT: 0024-sc-487045Size: 25 mLDry Ice: NoHazardous: No
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CAT#:0024-sc-487045Size:25 mL
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CAS Number
112-51-6

Chemical Information

Dipentyl disulfide
CAS Number112-51-6
PubChem CID8191
IUPAC Name1-(pentyldisulfanyl)pentane
Molecular FormulaC10H22S2
Molecular Weight206.4
XLogP4.5
Topological Polar Surface Area50.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count9
Heavy Atom Count12
Formal Charge0
Complexity64
SMILES
CCCCCSSCCCCC
InChI
InChI=1S/C10H22S2/c1-3-5-7-9-11-12-10-8-6-4-2/h3-10H2,1-2H3
InChIKey
YSQZSPCQDXHJDJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dipentyl disulfide
CAS: 112-51-6
CID: 8191
Formula: C10H22S2
MW: 206.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight206.4
XLogP34.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count9
Exact Mass206.11629305
Monoisotopic Mass206.11629305
Topological Polar Surface Area50.6 Ų
Heavy Atom Count12
Formal Charge0
Complexity64.2
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