3-sulfanyloctan-1-ol

C8H18OS — CID 6430897

IUPAC3-sulfanyloctan-1-ol
SMILESCCCCCC(S)CCO
InChIInChI=1S/C8H18OS/c1-2-3-4-5-8(10)6-7-9/h8-10H,2-7H2,1H3
InChIKeyWKAXDMPFNOOFMS-UHFFFAOYSA-N
MW162.30 g/mol
LogP2.25
Rot. Bonds6

About 3-sulfanyloctan-1-ol

3-sulfanyloctan-1-ol (PubChem CID 6430897) has the molecular formula C8H18OS and a molecular weight of 162.30 g/mol. Its IUPAC name is 3-sulfanyloctan-1-ol.

Molecular Properties

Compound Name3-sulfanyloctan-1-ol
PubChem CID6430897
Molecular FormulaC8H18OS
Molecular Weight162.30 g/mol
Exact Mass162.11
IUPAC Name3-sulfanyloctan-1-ol
SMILESCCCCCC(S)CCO
InChIInChI=1S/C8H18OS/c1-2-3-4-5-8(10)6-7-9/h8-10H,2-7H2,1H3
InChIKeyWKAXDMPFNOOFMS-UHFFFAOYSA-N
XLogP2.25
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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 3-sulfanyloctan-1-ol?
The IUPAC name of 3-sulfanyloctan-1-ol (CID 6430897) is 3-sulfanyloctan-1-ol.
What is the SMILES notation for 3-sulfanyloctan-1-ol?
The canonical SMILES for 3-sulfanyloctan-1-ol is CCCCCC(S)CCO.
What is the InChIKey of 3-sulfanyloctan-1-ol?
The InChIKey is WKAXDMPFNOOFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18OS/c1-2-3-4-5-8(10)6-7-9/h8-10H,2-7H2,1H3.
What are the key properties of 3-sulfanyloctan-1-ol?
3-sulfanyloctan-1-ol has a molecular weight of 162.30 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-sulfanyloctan-1-ol is sourced from PubChem (CID 6430897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).