nonane-2-thiol

C9H20S — CID 518742

IUPACnonane-2-thiol
SMILESCCCCCCCC(C)S
InChIInChI=1S/C9H20S/c1-3-4-5-6-7-8-9(2)10/h9-10H,3-8H2,1-2H3
InChIKeyUOMSUBPWUZCGQU-UHFFFAOYSA-N
MW160.33 g/mol
LogP3.67
Rot. Bonds6

About nonane-2-thiol

nonane-2-thiol (PubChem CID 518742) has the molecular formula C9H20S and a molecular weight of 160.33 g/mol. Its IUPAC name is nonane-2-thiol.

Molecular Properties

Compound Namenonane-2-thiol
PubChem CID518742
Molecular FormulaC9H20S
Molecular Weight160.33 g/mol
Exact Mass160.13
IUPAC Namenonane-2-thiol
SMILESCCCCCCCC(C)S
InChIInChI=1S/C9H20S/c1-3-4-5-6-7-8-9(2)10/h9-10H,3-8H2,1-2H3
InChIKeyUOMSUBPWUZCGQU-UHFFFAOYSA-N
XLogP3.67
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
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-2-thiol?
The IUPAC name of nonane-2-thiol (CID 518742) is nonane-2-thiol.
What is the SMILES notation for nonane-2-thiol?
The canonical SMILES for nonane-2-thiol is CCCCCCCC(C)S.
What is the InChIKey of nonane-2-thiol?
The InChIKey is UOMSUBPWUZCGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20S/c1-3-4-5-6-7-8-9(2)10/h9-10H,3-8H2,1-2H3.
What are the key properties of nonane-2-thiol?
nonane-2-thiol has a molecular weight of 160.33 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for nonane-2-thiol is sourced from PubChem (CID 518742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).