2-chloro-6-(3-chloro-2-hydroxyphenyl)sulfanylphenol

C12H8Cl2O2S — CID 67872324

IUPAC2-chloro-6-(3-chloro-2-hydroxyphenyl)sulfanylphenol
SMILESOc1c(Cl)cccc1Sc1cccc(Cl)c1O
InChIInChI=1S/C12H8Cl2O2S/c13-7-3-1-5-9(11(7)15)17-10-6-2-4-8(14)12(10)16/h1-6,15-16H
InChIKeyXLXZIFGGJYSZGT-UHFFFAOYSA-N
MW287.17 g/mol
LogP4.56
Rot. Bonds2

About 2-chloro-6-(3-chloro-2-hydroxyphenyl)sulfanylphenol

2-chloro-6-(3-chloro-2-hydroxyphenyl)sulfanylphenol (PubChem CID 67872324) has the molecular formula C12H8Cl2O2S and a molecular weight of 287.17 g/mol. Its IUPAC name is 2-chloro-6-(3-chloro-2-hydroxyphenyl)sulfanylphenol.

Molecular Properties

Compound Name2-chloro-6-(3-chloro-2-hydroxyphenyl)sulfanylphenol
PubChem CID67872324
Molecular FormulaC12H8Cl2O2S
Molecular Weight287.17 g/mol
Exact Mass285.96
IUPAC Name2-chloro-6-(3-chloro-2-hydroxyphenyl)sulfanylphenol
SMILESOc1c(Cl)cccc1Sc1cccc(Cl)c1O
InChIInChI=1S/C12H8Cl2O2S/c13-7-3-1-5-9(11(7)15)17-10-6-2-4-8(14)12(10)16/h1-6,15-16H
InChIKeyXLXZIFGGJYSZGT-UHFFFAOYSA-N
XLogP4.56
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.17
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(3-chloro-2-hydroxyphenyl)sulfanylphenol?
The IUPAC name of 2-chloro-6-(3-chloro-2-hydroxyphenyl)sulfanylphenol (CID 67872324) is 2-chloro-6-(3-chloro-2-hydroxyphenyl)sulfanylphenol.
What is the SMILES notation for 2-chloro-6-(3-chloro-2-hydroxyphenyl)sulfanylphenol?
The canonical SMILES for 2-chloro-6-(3-chloro-2-hydroxyphenyl)sulfanylphenol is Oc1c(Cl)cccc1Sc1cccc(Cl)c1O.
What is the InChIKey of 2-chloro-6-(3-chloro-2-hydroxyphenyl)sulfanylphenol?
The InChIKey is XLXZIFGGJYSZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2O2S/c13-7-3-1-5-9(11(7)15)17-10-6-2-4-8(14)12(10)16/h1-6,15-16H.
What are the key properties of 2-chloro-6-(3-chloro-2-hydroxyphenyl)sulfanylphenol?
2-chloro-6-(3-chloro-2-hydroxyphenyl)sulfanylphenol has a molecular weight of 287.17 g/mol, XLogP of 4.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(3-chloro-2-hydroxyphenyl)sulfanylphenol is sourced from PubChem (CID 67872324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).