disodium;2,4-dichloro-6-(3,5-dichloro-2-oxidophenyl)sulfanylphenolate

C12H4Cl4Na2O2S — CID 22882

IUPACdisodium;2,4-dichloro-6-(3,5-dichloro-2-oxidophenyl)sulfanylphenolate
SMILES[Na+].[Na+].[O-]c1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1[O-]
InChIInChI=1S/C12H6Cl4O2S.2Na/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;2*+1/p-2
InChIKeyFNYZFZRGBBCWBI-UHFFFAOYSA-L
MW400.02 g/mol
LogP-1.39
Rot. Bonds2

About disodium;2,4-dichloro-6-(3,5-dichloro-2-oxidophenyl)sulfanylphenolate

disodium;2,4-dichloro-6-(3,5-dichloro-2-oxidophenyl)sulfanylphenolate (PubChem CID 22882) has the molecular formula C12H4Cl4Na2O2S and a molecular weight of 400.02 g/mol. Its IUPAC name is disodium;2,4-dichloro-6-(3,5-dichloro-2-oxidophenyl)sulfanylphenolate.

Molecular Properties

Compound Namedisodium;2,4-dichloro-6-(3,5-dichloro-2-oxidophenyl)sulfanylphenolate
PubChem CID22882
Molecular FormulaC12H4Cl4Na2O2S
Molecular Weight400.02 g/mol
Exact Mass397.85
IUPAC Namedisodium;2,4-dichloro-6-(3,5-dichloro-2-oxidophenyl)sulfanylphenolate
SMILES[Na+].[Na+].[O-]c1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1[O-]
InChIInChI=1S/C12H6Cl4O2S.2Na/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;2*+1/p-2
InChIKeyFNYZFZRGBBCWBI-UHFFFAOYSA-L
XLogP-1.39
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.02
LogP ≤ 5-1.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze disodium;2,4-dichloro-6-(3,5-dichloro-2-oxidophenyl)sulfanylphenolate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Bithionol
CID 2406
Bithionol sulfoxide
CID 68939
Bithionate sodium
CID 2407
Oxichloron
CID 1368742
2,2-Dithiobis(4,6-dichlorophenol)
CID 6453504
4-Chloro-2-(3,5-dichlorophenyl)sulfanylphenol
CID 168282046
Pharmakon1600-01500148
CID 60148380
Cambridge id 5157225
CID 2831289
Chlorohydroxyphenylsulfide
CID 67872324
Sodium 2,4-dichloro-6-((3,5-dichloro-2-hydroxyphenyl)thio)phenolate
CID 57464677
1,5-Dichloro-3-(3,5-dichloro-2-fluorosulfonyloxyphenyl)sulfanyl-2-fluorosulfonyloxybenzene
CID 155337072
2-Chloro-6-(3-chloro-5-fluoro-2-hydroxyphenyl)sulfanyl-4-fluorophenol
CID 155391780

Frequently Asked Questions

What is the IUPAC name of disodium;2,4-dichloro-6-(3,5-dichloro-2-oxidophenyl)sulfanylphenolate?
The IUPAC name of disodium;2,4-dichloro-6-(3,5-dichloro-2-oxidophenyl)sulfanylphenolate (CID 22882) is disodium;2,4-dichloro-6-(3,5-dichloro-2-oxidophenyl)sulfanylphenolate.
What is the SMILES notation for disodium;2,4-dichloro-6-(3,5-dichloro-2-oxidophenyl)sulfanylphenolate?
The canonical SMILES for disodium;2,4-dichloro-6-(3,5-dichloro-2-oxidophenyl)sulfanylphenolate is [Na+].[Na+].[O-]c1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1[O-].
What is the InChIKey of disodium;2,4-dichloro-6-(3,5-dichloro-2-oxidophenyl)sulfanylphenolate?
The InChIKey is FNYZFZRGBBCWBI-UHFFFAOYSA-L. The full InChI is InChI=1S/C12H6Cl4O2S.2Na/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;2*+1/p-2.
What are the key properties of disodium;2,4-dichloro-6-(3,5-dichloro-2-oxidophenyl)sulfanylphenolate?
disodium;2,4-dichloro-6-(3,5-dichloro-2-oxidophenyl)sulfanylphenolate has a molecular weight of 400.02 g/mol, XLogP of -1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;2,4-dichloro-6-(3,5-dichloro-2-oxidophenyl)sulfanylphenolate is sourced from PubChem (CID 22882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).