sodium;hydride;4-(4-hydroxyphenyl)sulfinylphenol

C12H11NaO3S — CID 173421371

IUPACsodium;hydride;4-(4-hydroxyphenyl)sulfinylphenol
SMILESO=S(c1ccc(O)cc1)c1ccc(O)cc1.[H-].[Na+]
InChIInChI=1S/C12H10O3S.Na.H/c13-9-1-5-11(6-2-9)16(15)12-7-3-10(14)4-8-12;;/h1-8,13-14H;;/q;+1;-1
InChIKeyFTOUHLMEHIIXCA-UHFFFAOYSA-N
MW258.27 g/mol
LogP-0.62
Rot. Bonds2

About sodium;hydride;4-(4-hydroxyphenyl)sulfinylphenol

sodium;hydride;4-(4-hydroxyphenyl)sulfinylphenol (PubChem CID 173421371) has the molecular formula C12H11NaO3S and a molecular weight of 258.27 g/mol. Its IUPAC name is sodium;hydride;4-(4-hydroxyphenyl)sulfinylphenol.

Molecular Properties

Compound Namesodium;hydride;4-(4-hydroxyphenyl)sulfinylphenol
PubChem CID173421371
Molecular FormulaC12H11NaO3S
Molecular Weight258.27 g/mol
Exact Mass258.03
IUPAC Namesodium;hydride;4-(4-hydroxyphenyl)sulfinylphenol
SMILESO=S(c1ccc(O)cc1)c1ccc(O)cc1.[H-].[Na+]
InChIInChI=1S/C12H10O3S.Na.H/c13-9-1-5-11(6-2-9)16(15)12-7-3-10(14)4-8-12;;/h1-8,13-14H;;/q;+1;-1
InChIKeyFTOUHLMEHIIXCA-UHFFFAOYSA-N
XLogP-0.62
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of sodium;hydride;4-(4-hydroxyphenyl)sulfinylphenol?
The IUPAC name of sodium;hydride;4-(4-hydroxyphenyl)sulfinylphenol (CID 173421371) is sodium;hydride;4-(4-hydroxyphenyl)sulfinylphenol.
What is the SMILES notation for sodium;hydride;4-(4-hydroxyphenyl)sulfinylphenol?
The canonical SMILES for sodium;hydride;4-(4-hydroxyphenyl)sulfinylphenol is O=S(c1ccc(O)cc1)c1ccc(O)cc1.[H-].[Na+].
What is the InChIKey of sodium;hydride;4-(4-hydroxyphenyl)sulfinylphenol?
The InChIKey is FTOUHLMEHIIXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O3S.Na.H/c13-9-1-5-11(6-2-9)16(15)12-7-3-10(14)4-8-12;;/h1-8,13-14H;;/q;+1;-1.
What are the key properties of sodium;hydride;4-(4-hydroxyphenyl)sulfinylphenol?
sodium;hydride;4-(4-hydroxyphenyl)sulfinylphenol has a molecular weight of 258.27 g/mol, XLogP of -0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;4-(4-hydroxyphenyl)sulfinylphenol is sourced from PubChem (CID 173421371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).