phenyl-(1-sulfanylcyclohexyl)methanone

C13H16OS — CID 151401911

IUPACphenyl-(1-sulfanylcyclohexyl)methanone
SMILESO=C(c1ccccc1)C1(S)CCCCC1
InChIInChI=1S/C13H16OS/c14-12(11-7-3-1-4-8-11)13(15)9-5-2-6-10-13/h1,3-4,7-8,15H,2,5-6,9-10H2
InChIKeyOWRBEXHPLNIKPP-UHFFFAOYSA-N
MW220.34 g/mol
LogP3.50
Rot. Bonds2

About phenyl-(1-sulfanylcyclohexyl)methanone

phenyl-(1-sulfanylcyclohexyl)methanone (PubChem CID 151401911) has the molecular formula C13H16OS and a molecular weight of 220.34 g/mol. Its IUPAC name is phenyl-(1-sulfanylcyclohexyl)methanone.

Molecular Properties

Compound Namephenyl-(1-sulfanylcyclohexyl)methanone
PubChem CID151401911
Molecular FormulaC13H16OS
Molecular Weight220.34 g/mol
Exact Mass220.09
IUPAC Namephenyl-(1-sulfanylcyclohexyl)methanone
SMILESO=C(c1ccccc1)C1(S)CCCCC1
InChIInChI=1S/C13H16OS/c14-12(11-7-3-1-4-8-11)13(15)9-5-2-6-10-13/h1,3-4,7-8,15H,2,5-6,9-10H2
InChIKeyOWRBEXHPLNIKPP-UHFFFAOYSA-N
XLogP3.50
TPSA17.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 53.50
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 phenyl-(1-sulfanylcyclohexyl)methanone?
The IUPAC name of phenyl-(1-sulfanylcyclohexyl)methanone (CID 151401911) is phenyl-(1-sulfanylcyclohexyl)methanone.
What is the SMILES notation for phenyl-(1-sulfanylcyclohexyl)methanone?
The canonical SMILES for phenyl-(1-sulfanylcyclohexyl)methanone is O=C(c1ccccc1)C1(S)CCCCC1.
What is the InChIKey of phenyl-(1-sulfanylcyclohexyl)methanone?
The InChIKey is OWRBEXHPLNIKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16OS/c14-12(11-7-3-1-4-8-11)13(15)9-5-2-6-10-13/h1,3-4,7-8,15H,2,5-6,9-10H2.
What are the key properties of phenyl-(1-sulfanylcyclohexyl)methanone?
phenyl-(1-sulfanylcyclohexyl)methanone has a molecular weight of 220.34 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(1-sulfanylcyclohexyl)methanone is sourced from PubChem (CID 151401911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).