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Tetradecyl disulfide

HCID 219692
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Basic information

CAS
5348-83-4
Standard SMILES
CCCCCCCCCCCCCCSSCCCCCCCCCCCCCC
InChIKey
PVHFXVCJLSWJAO-UHFFFAOYSA-N
Molecular formula
C28H58S2
Average molar mass
458.9 g/mol
Monoisotopic mass
458.3979942

Names & identifiers

Preferred name
Tetradecyl disulfide
IUPAC
1-(tetradecyldisulfanyl)tetradecane
English name
DIMYRISTYL DISULFIDE
Molecular formula
C28H58S2
Molecular weight
458.89

Names & synonyms

5348-83-4Tetradecyl disulfideDisulfide, ditetradecyl1-(tetradecyldisulfanyl)tetradecaneNSC1344SCHEMBL1221777DTXSID90968201NSC-1344DS-007514DIMYRISTYL DISULFIDEDITETRADECYL DISULFIDEDitetradecyl persulfide
Show more names
Ditetradecyl perdisulfide

Database identifiers

CAS
5348-83-4
PubChem CID
219692
DTXSID
DTXSID90968201
Nikkaji
J97.247I

Properties

Computed structural propertiesFilling in

XLogP
14.2
Topological polar surface area
50.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
27
Heavy atoms
30
Formal charge
0
Complexity
252

Physicochemical properties

Melting point
45 · 45.0-46.0 °C(Solv: benzene (71-43-2); ethanol (64-17-5))
Boiling point
530.3 · 530.3±19.0 °C(Predicted)
Density
0.884 · 0.884±0.06 g/cm3(Predicted)

Chemistry & industry

Upstream & downstream products

Downstream products

1-Tetradecanethiol

Related reactions

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Compound notes

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