5-(disulfanyl)-2-phenylphenol

C12H10OS2 — CID 123506237

IUPAC5-(disulfanyl)-2-phenylphenol
SMILESOc1cc(SS)ccc1-c1ccccc1
InChIInChI=1S/C12H10OS2/c13-12-8-10(15-14)6-7-11(12)9-4-2-1-3-5-9/h1-8,13-14H
InChIKeyXUPYHYXUYUFQTE-UHFFFAOYSA-N
MW234.35 g/mol
LogP4.00
Rot. Bonds2

About 5-(disulfanyl)-2-phenylphenol

5-(disulfanyl)-2-phenylphenol (PubChem CID 123506237) has the molecular formula C12H10OS2 and a molecular weight of 234.35 g/mol. Its IUPAC name is 5-(disulfanyl)-2-phenylphenol.

Molecular Properties

Compound Name5-(disulfanyl)-2-phenylphenol
PubChem CID123506237
Molecular FormulaC12H10OS2
Molecular Weight234.35 g/mol
Exact Mass234.02
IUPAC Name5-(disulfanyl)-2-phenylphenol
SMILESOc1cc(SS)ccc1-c1ccccc1
InChIInChI=1S/C12H10OS2/c13-12-8-10(15-14)6-7-11(12)9-4-2-1-3-5-9/h1-8,13-14H
InChIKeyXUPYHYXUYUFQTE-UHFFFAOYSA-N
XLogP4.00
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-(2-hydroxyphenyl)phenol;4-phenylbenzene-1,3-diol
CID 69274449
formaldehyde;4-phenylbenzene-1,3-diol
CID 174408267
carbanide;2-phenylphenol;titanium(3+)
CID 59317555
3-hydroxy-4-phenylbenzaldehyde
CID 23143847
2,3-difluoro-4-phenylphenol
CID 46314770
5-methylsulfanyl-2-phenylaniline
CID 19089196
oxalic acid;2-phenylphenol
CID 162319962
1,2-diphenyl-4-phenylsulfanylbenzene
CID 141384585
5-methylsulfonyl-2-phenylphenol
CID 170991477
2-phenyl-5-pyrrolidin-1-ylphenol
CID 91608204
1,1'-biphenyl;ethanol;2-phenylphenol
CID 90025475
chlorobenzene;2-phenylphenol
CID 161060319

Frequently Asked Questions

What is the IUPAC name of 5-(disulfanyl)-2-phenylphenol?
The IUPAC name of 5-(disulfanyl)-2-phenylphenol (CID 123506237) is 5-(disulfanyl)-2-phenylphenol.
What is the SMILES notation for 5-(disulfanyl)-2-phenylphenol?
The canonical SMILES for 5-(disulfanyl)-2-phenylphenol is Oc1cc(SS)ccc1-c1ccccc1.
What is the InChIKey of 5-(disulfanyl)-2-phenylphenol?
The InChIKey is XUPYHYXUYUFQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10OS2/c13-12-8-10(15-14)6-7-11(12)9-4-2-1-3-5-9/h1-8,13-14H.
What are the key properties of 5-(disulfanyl)-2-phenylphenol?
5-(disulfanyl)-2-phenylphenol has a molecular weight of 234.35 g/mol, XLogP of 4.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(disulfanyl)-2-phenylphenol is sourced from PubChem (CID 123506237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).