1-(tert-Butyldisulfanyl)hexane

HCID 545273

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Basic information

CAS: 64580-59-2
Standard SMILES: CCCCCCSSC(C)(C)C
InChIKey: HXFQCKLJIPUIKX-UHFFFAOYSA-N
Molecular formula: C10H22S2
Average molar mass: 206.4 g/mol
Monoisotopic mass: 206.11629305

Names & identifiers

Preferred name: 1-(tert-Butyldisulfanyl)hexane
IUPAC: 1-(tert-butyldisulfanyl)hexane

Names & synonyms

1-(tert-Butyldisulfanyl)hexanet-Butyl n-hexyl disulfide64580-59-2SCHEMBL11243706DTXSID403378821-(tert-Butyldisulfanyl)hexane #HXFQCKLJIPUIKX-UHFFFAOYSA-N

Database identifiers

CAS: 64580-59-2
PubChem CID: 545273
DTXSID: DTXSID40337882
Nikkaji: J542.902A

Properties

Computed structural properties

XLogP: 4.2
Topological polar surface area: 50.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 7
Heavy atoms: 12
Formal charge: 0
Complexity: 94.5

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