1,3,5-trichloro-2-(ethyldisulfanyl)benzene

C8H7Cl3S2 — CID 87271413

IUPAC1,3,5-trichloro-2-(ethyldisulfanyl)benzene
SMILESCCSSc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C8H7Cl3S2/c1-2-12-13-8-6(10)3-5(9)4-7(8)11/h3-4H,2H2,1H3
InChIKeyHASWLZRHACVQEM-UHFFFAOYSA-N
MW273.64 g/mol
LogP5.41
Rot. Bonds3

About 1,3,5-trichloro-2-(ethyldisulfanyl)benzene

1,3,5-trichloro-2-(ethyldisulfanyl)benzene (PubChem CID 87271413) has the molecular formula C8H7Cl3S2 and a molecular weight of 273.64 g/mol. Its IUPAC name is 1,3,5-trichloro-2-(ethyldisulfanyl)benzene.

Molecular Properties

Compound Name1,3,5-trichloro-2-(ethyldisulfanyl)benzene
PubChem CID87271413
Molecular FormulaC8H7Cl3S2
Molecular Weight273.64 g/mol
Exact Mass271.91
IUPAC Name1,3,5-trichloro-2-(ethyldisulfanyl)benzene
SMILESCCSSc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C8H7Cl3S2/c1-2-12-13-8-6(10)3-5(9)4-7(8)11/h3-4H,2H2,1H3
InChIKeyHASWLZRHACVQEM-UHFFFAOYSA-N
XLogP5.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.64
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trichloro-2-(ethyldisulfanyl)benzene?
The IUPAC name of 1,3,5-trichloro-2-(ethyldisulfanyl)benzene (CID 87271413) is 1,3,5-trichloro-2-(ethyldisulfanyl)benzene.
What is the SMILES notation for 1,3,5-trichloro-2-(ethyldisulfanyl)benzene?
The canonical SMILES for 1,3,5-trichloro-2-(ethyldisulfanyl)benzene is CCSSc1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 1,3,5-trichloro-2-(ethyldisulfanyl)benzene?
The InChIKey is HASWLZRHACVQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl3S2/c1-2-12-13-8-6(10)3-5(9)4-7(8)11/h3-4H,2H2,1H3.
What are the key properties of 1,3,5-trichloro-2-(ethyldisulfanyl)benzene?
1,3,5-trichloro-2-(ethyldisulfanyl)benzene has a molecular weight of 273.64 g/mol, XLogP of 5.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trichloro-2-(ethyldisulfanyl)benzene is sourced from PubChem (CID 87271413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).