9-Mercapto-1-nonanol

C9H20OS — CID 46201499

IUPAC9-sulfanylnonan-1-ol
SMILESC(CCCCO)CCCCS
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
LogP2.90
Rot. Bonds8

About 9-Mercapto-1-nonanol

9-Mercapto-1-nonanol (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-Mercapto-1-nonanol
PubChem CID46201499
Molecular FormulaC9H20OS
Molecular Weight176.32 g/mol
Exact Mass176.12
IUPAC Name9-sulfanylnonan-1-ol
SMILESC(CCCCO)CCCCS
InChIInChI=1S/C9H20OS/c10-8-6-4-2-1-3-5-7-9-11/h10-11H,1-9H2
InChIKeyFXFJFNVBVKPAPL-UHFFFAOYSA-N
XLogP2.90
TPSA21.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms11
Complexity66

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.32
LogP ≤ 52.90
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

1-Undecanol, 2,11-dimercapto-
CID 474219
8-Mercapto-1-octanol
CID 11041028
11-Mercaptoundecanol
CID 261824
Bis(11-hydroxyundecyl) disulfide
CID 15327845
7-Sulfanylheptan-1-OL
CID 15264021
3-Mercaptoheptanol
CID 6430894
12-Sulfanyldodecan-1-ol
CID 15274183
Oxystearylsulfur
CID 19983403
3-Mercaptooctanol
CID 6430897
1-Sulfanyldecan-2-ol
CID 12963327
4-Mercapto-1-octanol
CID 117910869
16-Sulfanylhexadecan-1-ol
CID 3763246

Frequently Asked Questions

What is the IUPAC name of 9-Mercapto-1-nonanol?
The IUPAC name of 9-Mercapto-1-nonanol (CID 46201499) is 9-sulfanylnonan-1-ol.
What is the SMILES notation for 9-Mercapto-1-nonanol?
The canonical SMILES for 9-Mercapto-1-nonanol is C(CCCCO)CCCCS.
What is the InChIKey of 9-Mercapto-1-nonanol?
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-Mercapto-1-nonanol?
9-Mercapto-1-nonanol has a molecular weight of 176.32 g/mol, XLogP of 2.90, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-Mercapto-1-nonanol is sourced from PubChem (CID 46201499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).