5-sulfanylpentan-1-ol

C5H12OS — CID 534259

IUPAC5-sulfanylpentan-1-ol
SMILESOCCCCCS
InChIInChI=1S/C5H12OS/c6-4-2-1-3-5-7/h6-7H,1-5H2
InChIKeyOKUJJVAASUSBCG-UHFFFAOYSA-N
MW120.22 g/mol
LogP1.08
Rot. Bonds4

About 5-sulfanylpentan-1-ol

5-sulfanylpentan-1-ol (PubChem CID 534259) has the molecular formula C5H12OS and a molecular weight of 120.22 g/mol. Its IUPAC name is 5-sulfanylpentan-1-ol.

Molecular Properties

Compound Name5-sulfanylpentan-1-ol
PubChem CID534259
Molecular FormulaC5H12OS
Molecular Weight120.22 g/mol
Exact Mass120.06
IUPAC Name5-sulfanylpentan-1-ol
SMILESOCCCCCS
InChIInChI=1S/C5H12OS/c6-4-2-1-3-5-7/h6-7H,1-5H2
InChIKeyOKUJJVAASUSBCG-UHFFFAOYSA-N
XLogP1.08
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.22
LogP ≤ 51.08
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 5-sulfanylpentan-1-ol?
The IUPAC name of 5-sulfanylpentan-1-ol (CID 534259) is 5-sulfanylpentan-1-ol.
What is the SMILES notation for 5-sulfanylpentan-1-ol?
The canonical SMILES for 5-sulfanylpentan-1-ol is OCCCCCS.
What is the InChIKey of 5-sulfanylpentan-1-ol?
The InChIKey is OKUJJVAASUSBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12OS/c6-4-2-1-3-5-7/h6-7H,1-5H2.
What are the key properties of 5-sulfanylpentan-1-ol?
5-sulfanylpentan-1-ol has a molecular weight of 120.22 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-sulfanylpentan-1-ol is sourced from PubChem (CID 534259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).