4-chloro-2-(3,5-dichloro-2-hydroxyphenyl)sulfanyl-6-methylphenol

C13H9Cl3O2S — CID 71230479

IUPAC4-chloro-2-(3,5-dichloro-2-hydroxyphenyl)sulfanyl-6-methylphenol
SMILESCc1cc(Cl)cc(Sc2cc(Cl)cc(Cl)c2O)c1O
InChIInChI=1S/C13H9Cl3O2S/c1-6-2-7(14)4-10(12(6)17)19-11-5-8(15)3-9(16)13(11)18/h2-5,17-18H,1H3
InChIKeyYFJGRXHEKZITAW-UHFFFAOYSA-N
MW335.64 g/mol
LogP5.52
Rot. Bonds2

About 4-chloro-2-(3,5-dichloro-2-hydroxyphenyl)sulfanyl-6-methylphenol

4-chloro-2-(3,5-dichloro-2-hydroxyphenyl)sulfanyl-6-methylphenol (PubChem CID 71230479) has the molecular formula C13H9Cl3O2S and a molecular weight of 335.64 g/mol. Its IUPAC name is 4-chloro-2-(3,5-dichloro-2-hydroxyphenyl)sulfanyl-6-methylphenol.

Molecular Properties

Compound Name4-chloro-2-(3,5-dichloro-2-hydroxyphenyl)sulfanyl-6-methylphenol
PubChem CID71230479
Molecular FormulaC13H9Cl3O2S
Molecular Weight335.64 g/mol
Exact Mass333.94
IUPAC Name4-chloro-2-(3,5-dichloro-2-hydroxyphenyl)sulfanyl-6-methylphenol
SMILESCc1cc(Cl)cc(Sc2cc(Cl)cc(Cl)c2O)c1O
InChIInChI=1S/C13H9Cl3O2S/c1-6-2-7(14)4-10(12(6)17)19-11-5-8(15)3-9(16)13(11)18/h2-5,17-18H,1H3
InChIKeyYFJGRXHEKZITAW-UHFFFAOYSA-N
XLogP5.52
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.64
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Bithionol
CID 2406
Phenol, 2,2'-thiobis(6-tert-butyl-4-chloro-
CID 201451
2,2'-Sulfanediylbis(4-chloro-6-methylphenol)
CID 23461862
2,2'-Thiobis[6-chloro-4-ethylphenol]
CID 53470651
2,2'-Thiobis(6-chloro-p-cresol)
CID 56843991
Pharmakon1600-01500148
CID 60148380
Sodium 2,4-dichloro-6-((3,5-dichloro-2-hydroxyphenyl)thio)phenolate
CID 57464677
2,4-Dichloro-6-[(3-fluoro-5-methylphenyl)methylsulfonyl]phenol
CID 147557130
2,4-Dichloro-6-[(2-fluoro-4-methylphenyl)methylsulfonyl]phenol
CID 160249506
2-Chloro-4-[chloro-bis(3-chloro-5-ethyl-4-hydroxyphenyl)-lambda4-sulfanyl]-6-ethylphenol
CID 134935860
Tris(3-chloro-5-ethyl-4-hydroxyphenyl)sulfanium chloride
CID 160807824
Bithifen
CID 6453501

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3,5-dichloro-2-hydroxyphenyl)sulfanyl-6-methylphenol?
The IUPAC name of 4-chloro-2-(3,5-dichloro-2-hydroxyphenyl)sulfanyl-6-methylphenol (CID 71230479) is 4-chloro-2-(3,5-dichloro-2-hydroxyphenyl)sulfanyl-6-methylphenol.
What is the SMILES notation for 4-chloro-2-(3,5-dichloro-2-hydroxyphenyl)sulfanyl-6-methylphenol?
The canonical SMILES for 4-chloro-2-(3,5-dichloro-2-hydroxyphenyl)sulfanyl-6-methylphenol is Cc1cc(Cl)cc(Sc2cc(Cl)cc(Cl)c2O)c1O.
What is the InChIKey of 4-chloro-2-(3,5-dichloro-2-hydroxyphenyl)sulfanyl-6-methylphenol?
The InChIKey is YFJGRXHEKZITAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl3O2S/c1-6-2-7(14)4-10(12(6)17)19-11-5-8(15)3-9(16)13(11)18/h2-5,17-18H,1H3.
What are the key properties of 4-chloro-2-(3,5-dichloro-2-hydroxyphenyl)sulfanyl-6-methylphenol?
4-chloro-2-(3,5-dichloro-2-hydroxyphenyl)sulfanyl-6-methylphenol has a molecular weight of 335.64 g/mol, XLogP of 5.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3,5-dichloro-2-hydroxyphenyl)sulfanyl-6-methylphenol is sourced from PubChem (CID 71230479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).