9-sulfanylnonan-1-ol

C9H20OS — CID 46201499

IUPAC9-sulfanylnonan-1-ol
SMILESOCCCCCCCCCS
InChIInChI=1S/C9H20OS/c10-8-6-4-2-1-3-5-7-9-11/h10-11H,1-9H2
InChIKeyFXFJFNVBVKPAPL-UHFFFAOYSA-N
MW176.32 g/mol
LogP2.64
Rot. Bonds8

About 9-sulfanylnonan-1-ol

9-sulfanylnonan-1-ol (PubChem CID 46201499) has the molecular formula C9H20OS and a molecular weight of 176.32 g/mol. Its IUPAC name is 9-sulfanylnonan-1-ol.

Molecular Properties

Compound Name9-sulfanylnonan-1-ol
PubChem CID46201499
Molecular FormulaC9H20OS
Molecular Weight176.32 g/mol
Exact Mass176.12
IUPAC Name9-sulfanylnonan-1-ol
SMILESOCCCCCCCCCS
InChIInChI=1S/C9H20OS/c10-8-6-4-2-1-3-5-7-9-11/h10-11H,1-9H2
InChIKeyFXFJFNVBVKPAPL-UHFFFAOYSA-N
XLogP2.64
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.32
LogP ≤ 52.64
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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Related Compounds

35-sulfanylpentatriacontan-1-ol
CID 87682399
25-sulfanylpentacosan-1-ol
CID 87683418
ethanol;11-sulfanylundecan-1-ol
CID 175180301
5-[methyl(6-sulfanylhexyl)amino]pentan-1-ol
CID 107207379
hexane-1,6-diol;octane-1,8-diol
CID 21202869
pentadecane-1,15-diol
CID 518994
trioctacontane-1,83-diol
CID 87526146
heptane-1,7-diol;nonane-1,9-diol
CID 174499055
octatriacontane-1,38-dithiol
CID 154319638
tricosane-1,23-diol
CID 25144332
dodecane-1,12-diol;tridecane-1,13-diol
CID 87338508
tetracosane-1,24-dithiol
CID 87293915

Frequently Asked Questions

What is the IUPAC name of 9-sulfanylnonan-1-ol?
The IUPAC name of 9-sulfanylnonan-1-ol (CID 46201499) is 9-sulfanylnonan-1-ol.
What is the SMILES notation for 9-sulfanylnonan-1-ol?
The canonical SMILES for 9-sulfanylnonan-1-ol is OCCCCCCCCCS.
What is the InChIKey of 9-sulfanylnonan-1-ol?
The InChIKey is FXFJFNVBVKPAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20OS/c10-8-6-4-2-1-3-5-7-9-11/h10-11H,1-9H2.
What are the key properties of 9-sulfanylnonan-1-ol?
9-sulfanylnonan-1-ol has a molecular weight of 176.32 g/mol, XLogP of 2.64, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-sulfanylnonan-1-ol is sourced from PubChem (CID 46201499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).