2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)sulfanylphenol

C12H6Cl4O2S — CID 2406

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IUPAC2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)sulfanylphenol
SMILESOc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C12H6Cl4O2S/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
InChIKeyJFIOVJDNOJYLKP-UHFFFAOYSA-N
MW356.06 g/mol
LogP5.86
Rot. Bonds2

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

2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)sulfanylphenol (PubChem CID 2406) has the molecular formula C12H6Cl4O2S and a molecular weight of 356.06 g/mol. Its IUPAC name is 2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)sulfanylphenol.

Molecular Properties

Compound Name2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)sulfanylphenol
PubChem CID2406
Molecular FormulaC12H6Cl4O2S
Molecular Weight356.06 g/mol
Exact Mass353.88
IUPAC Name2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)sulfanylphenol
SMILESOc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C12H6Cl4O2S/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
InChIKeyJFIOVJDNOJYLKP-UHFFFAOYSA-N
XLogP5.86
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.06
LogP ≤ 55.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Fenticlor
CID 7329
Bithionol sulfoxide
CID 68939
Bithionolate Sodium
CID 22882
p38 MAP Kinase Inhibitor IV
CID 3816490
3,5-Dichloro-2-hydroxybenzenesulphonyl chloride
CID 90078
Bithionate sodium
CID 2407
Oxichloron
CID 1368742
3,4,6-Trichloro-2-(3,5,6-trichloro-2-hydroxyphenylthio)phenol
CID 5134881
2,2-Dithiobis(4,6-dichlorophenol)
CID 6453504
2-(3,5-Dichlorophenyl)sulfanylphenol
CID 168272931
4-Chloro-2-(3,5-dichlorophenyl)sulfanylphenol
CID 168282046
2,6-Dichloro-4-(3,5-dichloro-4-hydroxyphenyl)sulfonylphenol
CID 305636

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)sulfanylphenol?
The IUPAC name of 2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)sulfanylphenol (CID 2406) is 2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)sulfanylphenol.
What is the SMILES notation for 2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)sulfanylphenol?
The canonical SMILES for 2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)sulfanylphenol is Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)sulfanylphenol?
The InChIKey is JFIOVJDNOJYLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl4O2S/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.
What are the key properties of 2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)sulfanylphenol?
2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)sulfanylphenol has a molecular weight of 356.06 g/mol, XLogP of 5.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)sulfanylphenol is sourced from PubChem (CID 2406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).