1-cyclohexylethanethione

C8H14S — CID 13294348

IUPAC1-cyclohexylethanethione
SMILESCC(=S)C1CCCCC1
InChIInChI=1S/C8H14S/c1-7(9)8-5-3-2-4-6-8/h8H,2-6H2,1H3
InChIKeyFIWWESNFPXEQMT-UHFFFAOYSA-N
MW142.27 g/mol
LogP2.96
Rot. Bonds1

About 1-cyclohexylethanethione

1-cyclohexylethanethione (PubChem CID 13294348) has the molecular formula C8H14S and a molecular weight of 142.27 g/mol. Its IUPAC name is 1-cyclohexylethanethione.

Molecular Properties

Compound Name1-cyclohexylethanethione
PubChem CID13294348
Molecular FormulaC8H14S
Molecular Weight142.27 g/mol
Exact Mass142.08
IUPAC Name1-cyclohexylethanethione
SMILESCC(=S)C1CCCCC1
InChIInChI=1S/C8H14S/c1-7(9)8-5-3-2-4-6-8/h8H,2-6H2,1H3
InChIKeyFIWWESNFPXEQMT-UHFFFAOYSA-N
XLogP2.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.27
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylethanethione?
The IUPAC name of 1-cyclohexylethanethione (CID 13294348) is 1-cyclohexylethanethione.
What is the SMILES notation for 1-cyclohexylethanethione?
The canonical SMILES for 1-cyclohexylethanethione is CC(=S)C1CCCCC1.
What is the InChIKey of 1-cyclohexylethanethione?
The InChIKey is FIWWESNFPXEQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14S/c1-7(9)8-5-3-2-4-6-8/h8H,2-6H2,1H3.
What are the key properties of 1-cyclohexylethanethione?
1-cyclohexylethanethione has a molecular weight of 142.27 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylethanethione is sourced from PubChem (CID 13294348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).