3-cyclohexyl-2H-pyran-2-thiol

C11H16OS — CID 141001634

IUPAC3-cyclohexyl-2H-pyran-2-thiol
SMILESSC1OC=CC=C1C1CCCCC1
InChIInChI=1S/C11H16OS/c13-11-10(7-4-8-12-11)9-5-2-1-3-6-9/h4,7-9,11,13H,1-3,5-6H2
InChIKeyUGFFIWROVJZZKL-UHFFFAOYSA-N
MW196.32 g/mol
LogP3.29
Rot. Bonds1

About 3-cyclohexyl-2H-pyran-2-thiol

3-cyclohexyl-2H-pyran-2-thiol (PubChem CID 141001634) has the molecular formula C11H16OS and a molecular weight of 196.32 g/mol. Its IUPAC name is 3-cyclohexyl-2H-pyran-2-thiol.

Molecular Properties

Compound Name3-cyclohexyl-2H-pyran-2-thiol
PubChem CID141001634
Molecular FormulaC11H16OS
Molecular Weight196.32 g/mol
Exact Mass196.09
IUPAC Name3-cyclohexyl-2H-pyran-2-thiol
SMILESSC1OC=CC=C1C1CCCCC1
InChIInChI=1S/C11H16OS/c13-11-10(7-4-8-12-11)9-5-2-1-3-6-9/h4,7-9,11,13H,1-3,5-6H2
InChIKeyUGFFIWROVJZZKL-UHFFFAOYSA-N
XLogP3.29
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3-cyclohexyl-2H-pyran-2-thiol?
The IUPAC name of 3-cyclohexyl-2H-pyran-2-thiol (CID 141001634) is 3-cyclohexyl-2H-pyran-2-thiol.
What is the SMILES notation for 3-cyclohexyl-2H-pyran-2-thiol?
The canonical SMILES for 3-cyclohexyl-2H-pyran-2-thiol is SC1OC=CC=C1C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-2H-pyran-2-thiol?
The InChIKey is UGFFIWROVJZZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16OS/c13-11-10(7-4-8-12-11)9-5-2-1-3-6-9/h4,7-9,11,13H,1-3,5-6H2.
What are the key properties of 3-cyclohexyl-2H-pyran-2-thiol?
3-cyclohexyl-2H-pyran-2-thiol has a molecular weight of 196.32 g/mol, XLogP of 3.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-2H-pyran-2-thiol is sourced from PubChem (CID 141001634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).