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

C12H8Cl2O2S3 — CID 44564358

IUPAC4-chloro-2-[(5-chloro-2-hydroxyphenyl)trisulfanyl]phenol
SMILESOc1ccc(Cl)cc1SSSc1cc(Cl)ccc1O
InChIInChI=1S/C12H8Cl2O2S3/c13-7-1-3-9(15)11(5-7)17-19-18-12-6-8(14)2-4-10(12)16/h1-6,15-16H
InChIKeyZWMBINMLYTXHOI-UHFFFAOYSA-N
MW351.30 g/mol
LogP5.85
Rot. Bonds4

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

4-chloro-2-[(5-chloro-2-hydroxyphenyl)trisulfanyl]phenol (PubChem CID 44564358) has the molecular formula C12H8Cl2O2S3 and a molecular weight of 351.30 g/mol. Its IUPAC name is 4-chloro-2-[(5-chloro-2-hydroxyphenyl)trisulfanyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[(5-chloro-2-hydroxyphenyl)trisulfanyl]phenol
PubChem CID44564358
Molecular FormulaC12H8Cl2O2S3
Molecular Weight351.30 g/mol
Exact Mass349.91
IUPAC Name4-chloro-2-[(5-chloro-2-hydroxyphenyl)trisulfanyl]phenol
SMILESOc1ccc(Cl)cc1SSSc1cc(Cl)ccc1O
InChIInChI=1S/C12H8Cl2O2S3/c13-7-1-3-9(15)11(5-7)17-19-18-12-6-8(14)2-4-10(12)16/h1-6,15-16H
InChIKeyZWMBINMLYTXHOI-UHFFFAOYSA-N
XLogP5.85
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.30
LogP ≤ 55.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(5-chloro-2-hydroxyphenyl)trisulfanyl]phenol?
The IUPAC name of 4-chloro-2-[(5-chloro-2-hydroxyphenyl)trisulfanyl]phenol (CID 44564358) is 4-chloro-2-[(5-chloro-2-hydroxyphenyl)trisulfanyl]phenol.
What is the SMILES notation for 4-chloro-2-[(5-chloro-2-hydroxyphenyl)trisulfanyl]phenol?
The canonical SMILES for 4-chloro-2-[(5-chloro-2-hydroxyphenyl)trisulfanyl]phenol is Oc1ccc(Cl)cc1SSSc1cc(Cl)ccc1O.
What is the InChIKey of 4-chloro-2-[(5-chloro-2-hydroxyphenyl)trisulfanyl]phenol?
The InChIKey is ZWMBINMLYTXHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2O2S3/c13-7-1-3-9(15)11(5-7)17-19-18-12-6-8(14)2-4-10(12)16/h1-6,15-16H.
What are the key properties of 4-chloro-2-[(5-chloro-2-hydroxyphenyl)trisulfanyl]phenol?
4-chloro-2-[(5-chloro-2-hydroxyphenyl)trisulfanyl]phenol has a molecular weight of 351.30 g/mol, XLogP of 5.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(5-chloro-2-hydroxyphenyl)trisulfanyl]phenol is sourced from PubChem (CID 44564358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).