2,3,4,5-tetrachloro-6-methylsulfanylpyridine

C6H3Cl4NS — CID 73172673

IUPAC2,3,4,5-tetrachloro-6-methylsulfanylpyridine
SMILESCSc1nc(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C6H3Cl4NS/c1-12-6-4(9)2(7)3(8)5(10)11-6/h1H3
InChIKeyLFXQMXIWSKKGGI-UHFFFAOYSA-N
MW262.98 g/mol
LogP4.42
Rot. Bonds1

About 2,3,4,5-tetrachloro-6-methylsulfanylpyridine

2,3,4,5-tetrachloro-6-methylsulfanylpyridine (PubChem CID 73172673) has the molecular formula C6H3Cl4NS and a molecular weight of 262.98 g/mol. Its IUPAC name is 2,3,4,5-tetrachloro-6-methylsulfanylpyridine.

Molecular Properties

Compound Name2,3,4,5-tetrachloro-6-methylsulfanylpyridine
PubChem CID73172673
Molecular FormulaC6H3Cl4NS
Molecular Weight262.98 g/mol
Exact Mass260.87
IUPAC Name2,3,4,5-tetrachloro-6-methylsulfanylpyridine
SMILESCSc1nc(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C6H3Cl4NS/c1-12-6-4(9)2(7)3(8)5(10)11-6/h1H3
InChIKeyLFXQMXIWSKKGGI-UHFFFAOYSA-N
XLogP4.42
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.98
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrachloro-6-methylsulfanylpyridine?
The IUPAC name of 2,3,4,5-tetrachloro-6-methylsulfanylpyridine (CID 73172673) is 2,3,4,5-tetrachloro-6-methylsulfanylpyridine.
What is the SMILES notation for 2,3,4,5-tetrachloro-6-methylsulfanylpyridine?
The canonical SMILES for 2,3,4,5-tetrachloro-6-methylsulfanylpyridine is CSc1nc(Cl)c(Cl)c(Cl)c1Cl.
What is the InChIKey of 2,3,4,5-tetrachloro-6-methylsulfanylpyridine?
The InChIKey is LFXQMXIWSKKGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl4NS/c1-12-6-4(9)2(7)3(8)5(10)11-6/h1H3.
What are the key properties of 2,3,4,5-tetrachloro-6-methylsulfanylpyridine?
2,3,4,5-tetrachloro-6-methylsulfanylpyridine has a molecular weight of 262.98 g/mol, XLogP of 4.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrachloro-6-methylsulfanylpyridine is sourced from PubChem (CID 73172673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).