4-(4-hydroxyphenyl)sulfanylphenolate

C12H9O2S- — CID 162468559

IUPAC4-(4-hydroxyphenyl)sulfanylphenolate
SMILES[O-]c1ccc(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/p-1
InChIKeyVWGKEVWFBOUAND-UHFFFAOYSA-M
MW217.27 g/mol
LogP2.62
Rot. Bonds2

About 4-(4-hydroxyphenyl)sulfanylphenolate

4-(4-hydroxyphenyl)sulfanylphenolate (PubChem CID 162468559) has the molecular formula C12H9O2S- and a molecular weight of 217.27 g/mol. Its IUPAC name is 4-(4-hydroxyphenyl)sulfanylphenolate.

Molecular Properties

Compound Name4-(4-hydroxyphenyl)sulfanylphenolate
PubChem CID162468559
Molecular FormulaC12H9O2S-
Molecular Weight217.27 g/mol
Exact Mass217.03
IUPAC Name4-(4-hydroxyphenyl)sulfanylphenolate
SMILES[O-]c1ccc(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/p-1
InChIKeyVWGKEVWFBOUAND-UHFFFAOYSA-M
XLogP2.62
TPSA43.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxyphenyl)sulfanylphenolate?
The IUPAC name of 4-(4-hydroxyphenyl)sulfanylphenolate (CID 162468559) is 4-(4-hydroxyphenyl)sulfanylphenolate.
What is the SMILES notation for 4-(4-hydroxyphenyl)sulfanylphenolate?
The canonical SMILES for 4-(4-hydroxyphenyl)sulfanylphenolate is [O-]c1ccc(Sc2ccc(O)cc2)cc1.
What is the InChIKey of 4-(4-hydroxyphenyl)sulfanylphenolate?
The InChIKey is VWGKEVWFBOUAND-UHFFFAOYSA-M. 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/p-1.
What are the key properties of 4-(4-hydroxyphenyl)sulfanylphenolate?
4-(4-hydroxyphenyl)sulfanylphenolate has a molecular weight of 217.27 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxyphenyl)sulfanylphenolate is sourced from PubChem (CID 162468559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).