4-chloro-2-[(5-chloro-2-hydroxyphenyl)disulfanyl]phenol

C12H8Cl2O2S2 — CID 44564356

IUPAC4-chloro-2-[(5-chloro-2-hydroxyphenyl)disulfanyl]phenol
SMILESOc1ccc(Cl)cc1SSc1cc(Cl)ccc1O
InChIInChI=1S/C12H8Cl2O2S2/c13-7-1-3-9(15)11(5-7)17-18-12-6-8(14)2-4-10(12)16/h1-6,15-16H
InChIKeyREMFBSWNAHVXFA-UHFFFAOYSA-N
MW319.23 g/mol
LogP5.20
Rot. Bonds3

About 4-chloro-2-[(5-chloro-2-hydroxyphenyl)disulfanyl]phenol

4-chloro-2-[(5-chloro-2-hydroxyphenyl)disulfanyl]phenol (PubChem CID 44564356) has the molecular formula C12H8Cl2O2S2 and a molecular weight of 319.23 g/mol. Its IUPAC name is 4-chloro-2-[(5-chloro-2-hydroxyphenyl)disulfanyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[(5-chloro-2-hydroxyphenyl)disulfanyl]phenol
PubChem CID44564356
Molecular FormulaC12H8Cl2O2S2
Molecular Weight319.23 g/mol
Exact Mass317.93
IUPAC Name4-chloro-2-[(5-chloro-2-hydroxyphenyl)disulfanyl]phenol
SMILESOc1ccc(Cl)cc1SSc1cc(Cl)ccc1O
InChIInChI=1S/C12H8Cl2O2S2/c13-7-1-3-9(15)11(5-7)17-18-12-6-8(14)2-4-10(12)16/h1-6,15-16H
InChIKeyREMFBSWNAHVXFA-UHFFFAOYSA-N
XLogP5.20
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.23
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-chloro-2-[(5-chloro-2-hydroxyphenyl)disulfanyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(5-chloro-2-hydroxyphenyl)disulfanyl]phenol?
The IUPAC name of 4-chloro-2-[(5-chloro-2-hydroxyphenyl)disulfanyl]phenol (CID 44564356) is 4-chloro-2-[(5-chloro-2-hydroxyphenyl)disulfanyl]phenol.
What is the SMILES notation for 4-chloro-2-[(5-chloro-2-hydroxyphenyl)disulfanyl]phenol?
The canonical SMILES for 4-chloro-2-[(5-chloro-2-hydroxyphenyl)disulfanyl]phenol is Oc1ccc(Cl)cc1SSc1cc(Cl)ccc1O.
What is the InChIKey of 4-chloro-2-[(5-chloro-2-hydroxyphenyl)disulfanyl]phenol?
The InChIKey is REMFBSWNAHVXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2O2S2/c13-7-1-3-9(15)11(5-7)17-18-12-6-8(14)2-4-10(12)16/h1-6,15-16H.
What are the key properties of 4-chloro-2-[(5-chloro-2-hydroxyphenyl)disulfanyl]phenol?
4-chloro-2-[(5-chloro-2-hydroxyphenyl)disulfanyl]phenol has a molecular weight of 319.23 g/mol, XLogP of 5.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(5-chloro-2-hydroxyphenyl)disulfanyl]phenol is sourced from PubChem (CID 44564356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).