nonane-1-thiol

C9H20S — CID 15077

IUPACnonane-1-thiol
SMILESCCCCCCCCCS
InChIInChI=1S/C9H20S/c1-2-3-4-5-6-7-8-9-10/h10H,2-9H2,1H3
InChIKeyZVEZMVFBMOOHAT-UHFFFAOYSA-N
MW160.33 g/mol
LogP3.67
Rot. Bonds7

About nonane-1-thiol

nonane-1-thiol (PubChem CID 15077) has the molecular formula C9H20S and a molecular weight of 160.33 g/mol. Its IUPAC name is nonane-1-thiol.

Molecular Properties

Compound Namenonane-1-thiol
PubChem CID15077
Molecular FormulaC9H20S
Molecular Weight160.33 g/mol
Exact Mass160.13
IUPAC Namenonane-1-thiol
SMILESCCCCCCCCCS
InChIInChI=1S/C9H20S/c1-2-3-4-5-6-7-8-9-10/h10H,2-9H2,1H3
InChIKeyZVEZMVFBMOOHAT-UHFFFAOYSA-N
XLogP3.67
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.33
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 nonane-1-thiol?
The IUPAC name of nonane-1-thiol (CID 15077) is nonane-1-thiol.
What is the SMILES notation for nonane-1-thiol?
The canonical SMILES for nonane-1-thiol is CCCCCCCCCS.
What is the InChIKey of nonane-1-thiol?
The InChIKey is ZVEZMVFBMOOHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20S/c1-2-3-4-5-6-7-8-9-10/h10H,2-9H2,1H3.
What are the key properties of nonane-1-thiol?
nonane-1-thiol has a molecular weight of 160.33 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for nonane-1-thiol is sourced from PubChem (CID 15077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).