4-chloro-2-(5-chloro-2-hydroxyphenyl)sulfanylphenol

C12H8Cl2O2S — CID 7329

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IUPAC4-chloro-2-(5-chloro-2-hydroxyphenyl)sulfanylphenol
SMILESOc1ccc(Cl)cc1Sc1cc(Cl)ccc1O
InChIInChI=1S/C12H8Cl2O2S/c13-7-1-3-9(15)11(5-7)17-12-6-8(14)2-4-10(12)16/h1-6,15-16H
InChIKeyANUSOIHIIPAHJV-UHFFFAOYSA-N
MW287.17 g/mol
LogP4.56
Rot. Bonds2

About 4-chloro-2-(5-chloro-2-hydroxyphenyl)sulfanylphenol

4-chloro-2-(5-chloro-2-hydroxyphenyl)sulfanylphenol (PubChem CID 7329) has the molecular formula C12H8Cl2O2S and a molecular weight of 287.17 g/mol. Its IUPAC name is 4-chloro-2-(5-chloro-2-hydroxyphenyl)sulfanylphenol.

Molecular Properties

Compound Name4-chloro-2-(5-chloro-2-hydroxyphenyl)sulfanylphenol
PubChem CID7329
Molecular FormulaC12H8Cl2O2S
Molecular Weight287.17 g/mol
Exact Mass285.96
IUPAC Name4-chloro-2-(5-chloro-2-hydroxyphenyl)sulfanylphenol
SMILESOc1ccc(Cl)cc1Sc1cc(Cl)ccc1O
InChIInChI=1S/C12H8Cl2O2S/c13-7-1-3-9(15)11(5-7)17-12-6-8(14)2-4-10(12)16/h1-6,15-16H
InChIKeyANUSOIHIIPAHJV-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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Related Compounds

Bithionol
CID 2406
Bithionol sulfoxide
CID 68939
Phenol, 2,2'-thiobis-
CID 83665
4-Chloro-2-[(5-chloro-2-hydroxyphenyl)disulfanyl]phenol
CID 44564356
4-Chloro-2-[(5-chloro-2-hydroxyphenyl)trisulfanyl]phenol
CID 44564358
Bithionate sodium
CID 2407
Oxichloron
CID 1368742
2-(3,5-Dichlorophenyl)sulfanylphenol
CID 168272931
2-(2,3,5-Trichlorophenyl)sulfanylphenol
CID 168273512
4-Chloro-2-(3,5-dichlorophenyl)sulfanylphenol
CID 168282046
4-Chloro-2-(4-hydroxybenzene-1-sulfonyl)phenol
CID 44564473
2,2'-Sulfanediylbis(4-chloro-6-methylphenol)
CID 23461862

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(5-chloro-2-hydroxyphenyl)sulfanylphenol?
The IUPAC name of 4-chloro-2-(5-chloro-2-hydroxyphenyl)sulfanylphenol (CID 7329) is 4-chloro-2-(5-chloro-2-hydroxyphenyl)sulfanylphenol.
What is the SMILES notation for 4-chloro-2-(5-chloro-2-hydroxyphenyl)sulfanylphenol?
The canonical SMILES for 4-chloro-2-(5-chloro-2-hydroxyphenyl)sulfanylphenol is Oc1ccc(Cl)cc1Sc1cc(Cl)ccc1O.
What is the InChIKey of 4-chloro-2-(5-chloro-2-hydroxyphenyl)sulfanylphenol?
The InChIKey is ANUSOIHIIPAHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2O2S/c13-7-1-3-9(15)11(5-7)17-12-6-8(14)2-4-10(12)16/h1-6,15-16H.
What are the key properties of 4-chloro-2-(5-chloro-2-hydroxyphenyl)sulfanylphenol?
4-chloro-2-(5-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 4-chloro-2-(5-chloro-2-hydroxyphenyl)sulfanylphenol is sourced from PubChem (CID 7329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).