4-(4-hydroxyphenyl)sulfanylphenol

C12H10O2S — CID 17570

IUPAC4-(4-hydroxyphenyl)sulfanylphenol
SMILESOc1ccc(Sc2ccc(O)cc2)cc1
InChIInChI=1S/C12H10O2S/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8,13-14H
InChIKeyVWGKEVWFBOUAND-UHFFFAOYSA-N
MW218.28 g/mol
LogP3.25
Rot. Bonds2

About 4-(4-hydroxyphenyl)sulfanylphenol

4-(4-hydroxyphenyl)sulfanylphenol (PubChem CID 17570) has the molecular formula C12H10O2S and a molecular weight of 218.28 g/mol. Its IUPAC name is 4-(4-hydroxyphenyl)sulfanylphenol.

Molecular Properties

Compound Name4-(4-hydroxyphenyl)sulfanylphenol
PubChem CID17570
Molecular FormulaC12H10O2S
Molecular Weight218.28 g/mol
Exact Mass218.04
IUPAC Name4-(4-hydroxyphenyl)sulfanylphenol
SMILESOc1ccc(Sc2ccc(O)cc2)cc1
InChIInChI=1S/C12H10O2S/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8,13-14H
InChIKeyVWGKEVWFBOUAND-UHFFFAOYSA-N
XLogP3.25
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Bisphenol S
CID 6626
o-(Methylthio)phenol
CID 61261
4-Mercaptophenol
CID 240147
4-(Methylthio)phenol
CID 14086
2,4'-Dihydroxydiphenyl sulfone
CID 79381
4,4'-Thiodiresorcinol
CID 66802
4-(Methylsulfonyl)phenol
CID 123350
4-Hydroxyphenyl thiocyanate
CID 220327
4-[(4-Hydroxyphenyl)disulfanyl]phenol
CID 280665
4,4'-Thiodi-o-cresol
CID 618879
Phenol, 2,2'-thiobis-
CID 83665
4-(Methylsulfinyl)phenol
CID 151936

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxyphenyl)sulfanylphenol?
The IUPAC name of 4-(4-hydroxyphenyl)sulfanylphenol (CID 17570) is 4-(4-hydroxyphenyl)sulfanylphenol.
What is the SMILES notation for 4-(4-hydroxyphenyl)sulfanylphenol?
The canonical SMILES for 4-(4-hydroxyphenyl)sulfanylphenol is Oc1ccc(Sc2ccc(O)cc2)cc1.
What is the InChIKey of 4-(4-hydroxyphenyl)sulfanylphenol?
The InChIKey is VWGKEVWFBOUAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O2S/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8,13-14H.
What are the key properties of 4-(4-hydroxyphenyl)sulfanylphenol?
4-(4-hydroxyphenyl)sulfanylphenol has a molecular weight of 218.28 g/mol, XLogP of 3.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxyphenyl)sulfanylphenol is sourced from PubChem (CID 17570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).