3-sulfanylhexan-1-ol

C6H14OS — CID 521348

IUPAC3-sulfanylhexan-1-ol
SMILESCCCC(S)CCO
InChIInChI=1S/C6H14OS/c1-2-3-6(8)4-5-7/h6-8H,2-5H2,1H3
InChIKeyTYZFMFVWHZKYSE-UHFFFAOYSA-N
MW134.24 g/mol
LogP1.47
Rot. Bonds4

About 3-sulfanylhexan-1-ol

3-sulfanylhexan-1-ol (PubChem CID 521348) has the molecular formula C6H14OS and a molecular weight of 134.24 g/mol. Its IUPAC name is 3-sulfanylhexan-1-ol.

Molecular Properties

Compound Name3-sulfanylhexan-1-ol
PubChem CID521348
Molecular FormulaC6H14OS
Molecular Weight134.24 g/mol
Exact Mass134.08
IUPAC Name3-sulfanylhexan-1-ol
SMILESCCCC(S)CCO
InChIInChI=1S/C6H14OS/c1-2-3-6(8)4-5-7/h6-8H,2-5H2,1H3
InChIKeyTYZFMFVWHZKYSE-UHFFFAOYSA-N
XLogP1.47
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.24
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-sulfanylhexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-sulfanylhexan-1-ol?
The IUPAC name of 3-sulfanylhexan-1-ol (CID 521348) is 3-sulfanylhexan-1-ol.
What is the SMILES notation for 3-sulfanylhexan-1-ol?
The canonical SMILES for 3-sulfanylhexan-1-ol is CCCC(S)CCO.
What is the InChIKey of 3-sulfanylhexan-1-ol?
The InChIKey is TYZFMFVWHZKYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14OS/c1-2-3-6(8)4-5-7/h6-8H,2-5H2,1H3.
What are the key properties of 3-sulfanylhexan-1-ol?
3-sulfanylhexan-1-ol has a molecular weight of 134.24 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-sulfanylhexan-1-ol is sourced from PubChem (CID 521348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).