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

C7H5Cl4NS — CID 56842266

IUPAC2,3,5,6-tetrachloro-4-ethylsulfanylpyridine
SMILESCCSc1c(Cl)c(Cl)nc(Cl)c1Cl
InChIInChI=1S/C7H5Cl4NS/c1-2-13-5-3(8)6(10)12-7(11)4(5)9/h2H2,1H3
InChIKeyRKUMQFHMUPBKHN-UHFFFAOYSA-N
MW277.00 g/mol
LogP4.81
Rot. Bonds2

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

2,3,5,6-tetrachloro-4-ethylsulfanylpyridine (PubChem CID 56842266) has the molecular formula C7H5Cl4NS and a molecular weight of 277.00 g/mol. Its IUPAC name is 2,3,5,6-tetrachloro-4-ethylsulfanylpyridine.

Molecular Properties

Compound Name2,3,5,6-tetrachloro-4-ethylsulfanylpyridine
PubChem CID56842266
Molecular FormulaC7H5Cl4NS
Molecular Weight277.00 g/mol
Exact Mass274.89
IUPAC Name2,3,5,6-tetrachloro-4-ethylsulfanylpyridine
SMILESCCSc1c(Cl)c(Cl)nc(Cl)c1Cl
InChIInChI=1S/C7H5Cl4NS/c1-2-13-5-3(8)6(10)12-7(11)4(5)9/h2H2,1H3
InChIKeyRKUMQFHMUPBKHN-UHFFFAOYSA-N
XLogP4.81
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.00
LogP ≤ 54.81
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 2,3,5,6-tetrachloro-4-ethylsulfanylpyridine?
The IUPAC name of 2,3,5,6-tetrachloro-4-ethylsulfanylpyridine (CID 56842266) is 2,3,5,6-tetrachloro-4-ethylsulfanylpyridine.
What is the SMILES notation for 2,3,5,6-tetrachloro-4-ethylsulfanylpyridine?
The canonical SMILES for 2,3,5,6-tetrachloro-4-ethylsulfanylpyridine is CCSc1c(Cl)c(Cl)nc(Cl)c1Cl.
What is the InChIKey of 2,3,5,6-tetrachloro-4-ethylsulfanylpyridine?
The InChIKey is RKUMQFHMUPBKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl4NS/c1-2-13-5-3(8)6(10)12-7(11)4(5)9/h2H2,1H3.
What are the key properties of 2,3,5,6-tetrachloro-4-ethylsulfanylpyridine?
2,3,5,6-tetrachloro-4-ethylsulfanylpyridine has a molecular weight of 277.00 g/mol, XLogP of 4.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrachloro-4-ethylsulfanylpyridine is sourced from PubChem (CID 56842266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).