6-(disulfanyl)hexan-1-ol

C6H14OS2 — CID 57001493

IUPAC6-(disulfanyl)hexan-1-ol
SMILESOCCCCCCSS
InChIInChI=1S/C6H14OS2/c7-5-3-1-2-4-6-9-8/h7-8H,1-6H2
InChIKeyXMOJYCLNGCZFKL-UHFFFAOYSA-N
MW166.31 g/mol
LogP2.12
Rot. Bonds6

About 6-(disulfanyl)hexan-1-ol

6-(disulfanyl)hexan-1-ol (PubChem CID 57001493) has the molecular formula C6H14OS2 and a molecular weight of 166.31 g/mol. Its IUPAC name is 6-(disulfanyl)hexan-1-ol.

Molecular Properties

Compound Name6-(disulfanyl)hexan-1-ol
PubChem CID57001493
Molecular FormulaC6H14OS2
Molecular Weight166.31 g/mol
Exact Mass166.05
IUPAC Name6-(disulfanyl)hexan-1-ol
SMILESOCCCCCCSS
InChIInChI=1S/C6H14OS2/c7-5-3-1-2-4-6-9-8/h7-8H,1-6H2
InChIKeyXMOJYCLNGCZFKL-UHFFFAOYSA-N
XLogP2.12
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 6-(disulfanyl)hexan-1-ol?
The IUPAC name of 6-(disulfanyl)hexan-1-ol (CID 57001493) is 6-(disulfanyl)hexan-1-ol.
What is the SMILES notation for 6-(disulfanyl)hexan-1-ol?
The canonical SMILES for 6-(disulfanyl)hexan-1-ol is OCCCCCCSS.
What is the InChIKey of 6-(disulfanyl)hexan-1-ol?
The InChIKey is XMOJYCLNGCZFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14OS2/c7-5-3-1-2-4-6-9-8/h7-8H,1-6H2.
What are the key properties of 6-(disulfanyl)hexan-1-ol?
6-(disulfanyl)hexan-1-ol has a molecular weight of 166.31 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(disulfanyl)hexan-1-ol is sourced from PubChem (CID 57001493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).