1-cyclohexylethanethiol

C8H16S — CID 18994009

IUPAC1-cyclohexylethanethiol
SMILESCC(S)C1CCCCC1
InChIInChI=1S/C8H16S/c1-7(9)8-5-3-2-4-6-8/h7-9H,2-6H2,1H3
InChIKeyZXQYPARNFOKKKR-UHFFFAOYSA-N
MW144.28 g/mol
LogP2.88
Rot. Bonds1

About 1-cyclohexylethanethiol

1-cyclohexylethanethiol (PubChem CID 18994009) has the molecular formula C8H16S and a molecular weight of 144.28 g/mol. Its IUPAC name is 1-cyclohexylethanethiol.

Molecular Properties

Compound Name1-cyclohexylethanethiol
PubChem CID18994009
Molecular FormulaC8H16S
Molecular Weight144.28 g/mol
Exact Mass144.10
IUPAC Name1-cyclohexylethanethiol
SMILESCC(S)C1CCCCC1
InChIInChI=1S/C8H16S/c1-7(9)8-5-3-2-4-6-8/h7-9H,2-6H2,1H3
InChIKeyZXQYPARNFOKKKR-UHFFFAOYSA-N
XLogP2.88
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.28
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 1-cyclohexylethanethiol?
The IUPAC name of 1-cyclohexylethanethiol (CID 18994009) is 1-cyclohexylethanethiol.
What is the SMILES notation for 1-cyclohexylethanethiol?
The canonical SMILES for 1-cyclohexylethanethiol is CC(S)C1CCCCC1.
What is the InChIKey of 1-cyclohexylethanethiol?
The InChIKey is ZXQYPARNFOKKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16S/c1-7(9)8-5-3-2-4-6-8/h7-9H,2-6H2,1H3.
What are the key properties of 1-cyclohexylethanethiol?
1-cyclohexylethanethiol has a molecular weight of 144.28 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylethanethiol is sourced from PubChem (CID 18994009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).