3-cyclohexylidenethiolane

C10H16S — CID 88988809

IUPAC3-cyclohexylidenethiolane
SMILESC1CCC(=C2CCSC2)CC1
InChIInChI=1S/C10H16S/c1-2-4-9(5-3-1)10-6-7-11-8-10/h1-8H2
InChIKeyGCKOKOJZIFBPPV-UHFFFAOYSA-N
MW168.30 g/mol
LogP3.38
Rot. Bonds

About 3-cyclohexylidenethiolane

3-cyclohexylidenethiolane (PubChem CID 88988809) has the molecular formula C10H16S and a molecular weight of 168.30 g/mol. Its IUPAC name is 3-cyclohexylidenethiolane.

Molecular Properties

Compound Name3-cyclohexylidenethiolane
PubChem CID88988809
Molecular FormulaC10H16S
Molecular Weight168.30 g/mol
Exact Mass168.10
IUPAC Name3-cyclohexylidenethiolane
SMILESC1CCC(=C2CCSC2)CC1
InChIInChI=1S/C10H16S/c1-2-4-9(5-3-1)10-6-7-11-8-10/h1-8H2
InChIKeyGCKOKOJZIFBPPV-UHFFFAOYSA-N
XLogP3.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.30
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexylidenethiolane?
The IUPAC name of 3-cyclohexylidenethiolane (CID 88988809) is 3-cyclohexylidenethiolane.
What is the SMILES notation for 3-cyclohexylidenethiolane?
The canonical SMILES for 3-cyclohexylidenethiolane is C1CCC(=C2CCSC2)CC1.
What is the InChIKey of 3-cyclohexylidenethiolane?
The InChIKey is GCKOKOJZIFBPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16S/c1-2-4-9(5-3-1)10-6-7-11-8-10/h1-8H2.
What are the key properties of 3-cyclohexylidenethiolane?
3-cyclohexylidenethiolane has a molecular weight of 168.30 g/mol, XLogP of 3.38, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexylidenethiolane is sourced from PubChem (CID 88988809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).