sodium 2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)sulfanylphenolate

C12H5Cl4NaO2S — CID 57464677

IUPACsodium 2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)sulfanylphenolate
SMILES[Na+].[O-]c1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C12H6Cl4O2S.Na/c13-5-1-7(15)11(17)9(3-5)19-10-4-6(14)2-8(16)12(10)18;/h1-4,17-18H;/q;+1/p-1
InChIKeyGBQJZSAUYCFSGW-UHFFFAOYSA-M
MW378.04 g/mol
LogP2.23
Rot. Bonds2

About sodium 2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)sulfanylphenolate

sodium 2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)sulfanylphenolate (PubChem CID 57464677) has the molecular formula C12H5Cl4NaO2S and a molecular weight of 378.04 g/mol. Its IUPAC name is sodium 2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)sulfanylphenolate.

Molecular Properties

Compound Namesodium 2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)sulfanylphenolate
PubChem CID57464677
Molecular FormulaC12H5Cl4NaO2S
Molecular Weight378.04 g/mol
Exact Mass375.87
IUPAC Namesodium 2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)sulfanylphenolate
SMILES[Na+].[O-]c1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C12H6Cl4O2S.Na/c13-5-1-7(15)11(17)9(3-5)19-10-4-6(14)2-8(16)12(10)18;/h1-4,17-18H;/q;+1/p-1
InChIKeyGBQJZSAUYCFSGW-UHFFFAOYSA-M
XLogP2.23
TPSA43.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.04
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of sodium 2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)sulfanylphenolate?
The IUPAC name of sodium 2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)sulfanylphenolate (CID 57464677) is sodium 2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)sulfanylphenolate.
What is the SMILES notation for sodium 2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)sulfanylphenolate?
The canonical SMILES for sodium 2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)sulfanylphenolate is [Na+].[O-]c1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O.
What is the InChIKey of sodium 2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)sulfanylphenolate?
The InChIKey is GBQJZSAUYCFSGW-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H6Cl4O2S.Na/c13-5-1-7(15)11(17)9(3-5)19-10-4-6(14)2-8(16)12(10)18;/h1-4,17-18H;/q;+1/p-1.
What are the key properties of sodium 2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)sulfanylphenolate?
sodium 2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)sulfanylphenolate has a molecular weight of 378.04 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)sulfanylphenolate is sourced from PubChem (CID 57464677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).