8-sulfanyloctan-1-ol

C8H18OS — CID 11041028

IUPAC8-sulfanyloctan-1-ol
SMILESOCCCCCCCCS
InChIInChI=1S/C8H18OS/c9-7-5-3-1-2-4-6-8-10/h9-10H,1-8H2
InChIKeyXJTWZETUWHTBTG-UHFFFAOYSA-N
MW162.30 g/mol
LogP2.25
Rot. Bonds7

About 8-sulfanyloctan-1-ol

8-sulfanyloctan-1-ol (PubChem CID 11041028) has the molecular formula C8H18OS and a molecular weight of 162.30 g/mol. Its IUPAC name is 8-sulfanyloctan-1-ol.

Molecular Properties

Compound Name8-sulfanyloctan-1-ol
PubChem CID11041028
Molecular FormulaC8H18OS
Molecular Weight162.30 g/mol
Exact Mass162.11
IUPAC Name8-sulfanyloctan-1-ol
SMILESOCCCCCCCCS
InChIInChI=1S/C8H18OS/c9-7-5-3-1-2-4-6-8-10/h9-10H,1-8H2
InChIKeyXJTWZETUWHTBTG-UHFFFAOYSA-N
XLogP2.25
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.30
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-sulfanyloctan-1-ol?
The IUPAC name of 8-sulfanyloctan-1-ol (CID 11041028) is 8-sulfanyloctan-1-ol.
What is the SMILES notation for 8-sulfanyloctan-1-ol?
The canonical SMILES for 8-sulfanyloctan-1-ol is OCCCCCCCCS.
What is the InChIKey of 8-sulfanyloctan-1-ol?
The InChIKey is XJTWZETUWHTBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18OS/c9-7-5-3-1-2-4-6-8-10/h9-10H,1-8H2.
What are the key properties of 8-sulfanyloctan-1-ol?
8-sulfanyloctan-1-ol has a molecular weight of 162.30 g/mol, XLogP of 2.25, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-sulfanyloctan-1-ol is sourced from PubChem (CID 11041028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).