2-sulfanylhexan-1-ol

C6H14OS — CID 549704

IUPAC2-sulfanylhexan-1-ol
SMILESCCCCC(S)CO
InChIInChI=1S/C6H14OS/c1-2-3-4-6(8)5-7/h6-8H,2-5H2,1H3
InChIKeyNIHGMROQOXYKAP-UHFFFAOYSA-N
MW134.24 g/mol
LogP1.47
Rot. Bonds4

About 2-sulfanylhexan-1-ol

2-sulfanylhexan-1-ol (PubChem CID 549704) has the molecular formula C6H14OS and a molecular weight of 134.24 g/mol. Its IUPAC name is 2-sulfanylhexan-1-ol.

Molecular Properties

Compound Name2-sulfanylhexan-1-ol
PubChem CID549704
Molecular FormulaC6H14OS
Molecular Weight134.24 g/mol
Exact Mass134.08
IUPAC Name2-sulfanylhexan-1-ol
SMILESCCCCC(S)CO
InChIInChI=1S/C6H14OS/c1-2-3-4-6(8)5-7/h6-8H,2-5H2,1H3
InChIKeyNIHGMROQOXYKAP-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'}

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Frequently Asked Questions

What is the IUPAC name of 2-sulfanylhexan-1-ol?
The IUPAC name of 2-sulfanylhexan-1-ol (CID 549704) is 2-sulfanylhexan-1-ol.
What is the SMILES notation for 2-sulfanylhexan-1-ol?
The canonical SMILES for 2-sulfanylhexan-1-ol is CCCCC(S)CO.
What is the InChIKey of 2-sulfanylhexan-1-ol?
The InChIKey is NIHGMROQOXYKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14OS/c1-2-3-4-6(8)5-7/h6-8H,2-5H2,1H3.
What are the key properties of 2-sulfanylhexan-1-ol?
2-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 2-sulfanylhexan-1-ol is sourced from PubChem (CID 549704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).