2,4-dichloro-6-[(3,5-dichloro-2-hydroxyphenyl)disulfanyl]phenol

C12H6Cl4O2S2 — CID 6453504

IUPAC2,4-dichloro-6-[(3,5-dichloro-2-hydroxyphenyl)disulfanyl]phenol
SMILESOc1c(Cl)cc(Cl)cc1SSc1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C12H6Cl4O2S2/c13-5-1-7(15)11(17)9(3-5)19-20-10-4-6(14)2-8(16)12(10)18/h1-4,17-18H
InChIKeyYVALZDKTCRMZLQ-UHFFFAOYSA-N
MW388.12 g/mol
LogP6.51
Rot. Bonds3

About 2,4-dichloro-6-[(3,5-dichloro-2-hydroxyphenyl)disulfanyl]phenol

2,4-dichloro-6-[(3,5-dichloro-2-hydroxyphenyl)disulfanyl]phenol (PubChem CID 6453504) has the molecular formula C12H6Cl4O2S2 and a molecular weight of 388.12 g/mol. Its IUPAC name is 2,4-dichloro-6-[(3,5-dichloro-2-hydroxyphenyl)disulfanyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[(3,5-dichloro-2-hydroxyphenyl)disulfanyl]phenol
PubChem CID6453504
Molecular FormulaC12H6Cl4O2S2
Molecular Weight388.12 g/mol
Exact Mass385.86
IUPAC Name2,4-dichloro-6-[(3,5-dichloro-2-hydroxyphenyl)disulfanyl]phenol
SMILESOc1c(Cl)cc(Cl)cc1SSc1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C12H6Cl4O2S2/c13-5-1-7(15)11(17)9(3-5)19-20-10-4-6(14)2-8(16)12(10)18/h1-4,17-18H
InChIKeyYVALZDKTCRMZLQ-UHFFFAOYSA-N
XLogP6.51
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.12
LogP ≤ 56.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[(3,5-dichloro-2-hydroxyphenyl)disulfanyl]phenol?
The IUPAC name of 2,4-dichloro-6-[(3,5-dichloro-2-hydroxyphenyl)disulfanyl]phenol (CID 6453504) is 2,4-dichloro-6-[(3,5-dichloro-2-hydroxyphenyl)disulfanyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[(3,5-dichloro-2-hydroxyphenyl)disulfanyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[(3,5-dichloro-2-hydroxyphenyl)disulfanyl]phenol is Oc1c(Cl)cc(Cl)cc1SSc1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 2,4-dichloro-6-[(3,5-dichloro-2-hydroxyphenyl)disulfanyl]phenol?
The InChIKey is YVALZDKTCRMZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl4O2S2/c13-5-1-7(15)11(17)9(3-5)19-20-10-4-6(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)disulfanyl]phenol?
2,4-dichloro-6-[(3,5-dichloro-2-hydroxyphenyl)disulfanyl]phenol has a molecular weight of 388.12 g/mol, XLogP of 6.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[(3,5-dichloro-2-hydroxyphenyl)disulfanyl]phenol is sourced from PubChem (CID 6453504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).