1-(disulfanyl)hexane

C6H14S2 — CID 14942892

IUPAC1-(disulfanyl)hexane
SMILESCCCCCCSS
InChIInChI=1S/C6H14S2/c1-2-3-4-5-6-8-7/h7H,2-6H2,1H3
InChIKeySEARPMOICNRYEK-UHFFFAOYSA-N
MW150.31 g/mol
LogP3.14
Rot. Bonds5

About 1-(disulfanyl)hexane

1-(disulfanyl)hexane (PubChem CID 14942892) has the molecular formula C6H14S2 and a molecular weight of 150.31 g/mol. Its IUPAC name is 1-(disulfanyl)hexane.

Molecular Properties

Compound Name1-(disulfanyl)hexane
PubChem CID14942892
Molecular FormulaC6H14S2
Molecular Weight150.31 g/mol
Exact Mass150.05
IUPAC Name1-(disulfanyl)hexane
SMILESCCCCCCSS
InChIInChI=1S/C6H14S2/c1-2-3-4-5-6-8-7/h7H,2-6H2,1H3
InChIKeySEARPMOICNRYEK-UHFFFAOYSA-N
XLogP3.14
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.31
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

Dipropyl disulfide
CID 12377
1-Hexanethiol
CID 8106
Dipropyl trisulfide
CID 22383
Methyl propyl disulfide
CID 16592
Methyl propyl trisulfide
CID 5319765
Diisopropyl disulfide
CID 77932
1,6-Hexanedithiol
CID 14491
Ethyl propyl disulfide
CID 35349
Amyl methyl disulfide
CID 522459
Butyl ethyl disulfide
CID 522111
Butyl methyl disulfide
CID 521941
Diisopropyl trisulfide
CID 80046

Frequently Asked Questions

What is the IUPAC name of 1-(disulfanyl)hexane?
The IUPAC name of 1-(disulfanyl)hexane (CID 14942892) is 1-(disulfanyl)hexane.
What is the SMILES notation for 1-(disulfanyl)hexane?
The canonical SMILES for 1-(disulfanyl)hexane is CCCCCCSS.
What is the InChIKey of 1-(disulfanyl)hexane?
The InChIKey is SEARPMOICNRYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14S2/c1-2-3-4-5-6-8-7/h7H,2-6H2,1H3.
What are the key properties of 1-(disulfanyl)hexane?
1-(disulfanyl)hexane has a molecular weight of 150.31 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(disulfanyl)hexane is sourced from PubChem (CID 14942892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).