4-phenylsulfanylphenol

C12H10OS — CID 11310195

IUPAC4-phenylsulfanylphenol
SMILESOc1ccc(Sc2ccccc2)cc1
InChIInChI=1S/C12H10OS/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9,13H
InChIKeyXAYCNCYFKLSMGR-UHFFFAOYSA-N
MW202.28 g/mol
LogP3.54
Rot. Bonds2

About 4-phenylsulfanylphenol

4-phenylsulfanylphenol (PubChem CID 11310195) has the molecular formula C12H10OS and a molecular weight of 202.28 g/mol. Its IUPAC name is 4-phenylsulfanylphenol.

Molecular Properties

Compound Name4-phenylsulfanylphenol
PubChem CID11310195
Molecular FormulaC12H10OS
Molecular Weight202.28 g/mol
Exact Mass202.05
IUPAC Name4-phenylsulfanylphenol
SMILESOc1ccc(Sc2ccccc2)cc1
InChIInChI=1S/C12H10OS/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9,13H
InChIKeyXAYCNCYFKLSMGR-UHFFFAOYSA-N
XLogP3.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-phenylsulfanylphenol?
The IUPAC name of 4-phenylsulfanylphenol (CID 11310195) is 4-phenylsulfanylphenol.
What is the SMILES notation for 4-phenylsulfanylphenol?
The canonical SMILES for 4-phenylsulfanylphenol is Oc1ccc(Sc2ccccc2)cc1.
What is the InChIKey of 4-phenylsulfanylphenol?
The InChIKey is XAYCNCYFKLSMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10OS/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9,13H.
What are the key properties of 4-phenylsulfanylphenol?
4-phenylsulfanylphenol has a molecular weight of 202.28 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylsulfanylphenol is sourced from PubChem (CID 11310195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).