2,3,5-trichloro-6-ethylsulfanylpyridine

C7H6Cl3NS — CID 102752225

IUPAC2,3,5-trichloro-6-ethylsulfanylpyridine
SMILESCCSc1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C7H6Cl3NS/c1-2-12-7-5(9)3-4(8)6(10)11-7/h3H,2H2,1H3
InChIKeyLKMSTTSFRKFJRZ-UHFFFAOYSA-N
MW242.56 g/mol
LogP4.15
Rot. Bonds2

About 2,3,5-trichloro-6-ethylsulfanylpyridine

2,3,5-trichloro-6-ethylsulfanylpyridine (PubChem CID 102752225) has the molecular formula C7H6Cl3NS and a molecular weight of 242.56 g/mol. Its IUPAC name is 2,3,5-trichloro-6-ethylsulfanylpyridine.

Molecular Properties

Compound Name2,3,5-trichloro-6-ethylsulfanylpyridine
PubChem CID102752225
Molecular FormulaC7H6Cl3NS
Molecular Weight242.56 g/mol
Exact Mass240.93
IUPAC Name2,3,5-trichloro-6-ethylsulfanylpyridine
SMILESCCSc1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C7H6Cl3NS/c1-2-12-7-5(9)3-4(8)6(10)11-7/h3H,2H2,1H3
InChIKeyLKMSTTSFRKFJRZ-UHFFFAOYSA-N
XLogP4.15
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.56
LogP ≤ 54.15
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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Related Compounds

2,3,5-trichloro-6-(furan-2-ylmethylsulfanyl)pyridine
CID 102752209
5-chloro-4-ethylsulfanylpyrimidin-2-amine
CID 80888466
4-propyl-2-[(3,5,6-trichloro-2-pyridinyl)sulfanyl]-1H-pyrimidin-6-one
CID 136822019
3-chloro-2-ethylsulfanyl-5-(trifluoromethyl)pyridine
CID 112776146
2-(4-tert-butylphenyl)sulfanyl-3,5,6-trichloropyridine
CID 102752274
3,5,6-trichloro-N-ethylpyridin-2-amine
CID 102750177
3,5-dichloro-6-(3-methylbutylsulfanyl)pyridin-2-amine
CID 107765860
2-[(3-bromo-2-pyridinyl)sulfanyl]-3,5,6-trichloropyridine
CID 102752375
4-propyl-3-[(3,5,6-trichloro-2-pyridinyl)sulfanyl]-1H-1,2,4-triazol-5-one
CID 102752352
2,3,5-trichloro-6-[(3-chloro-2-pyridinyl)sulfanyl]pyridine
CID 102752380
2,3,5-trichloro-6-(2-fluorophenyl)sulfanylpyridine
CID 102752241
2-[(3,5,6-trichloro-2-pyridinyl)sulfanyl]-1H-benzimidazole
CID 102752249

Frequently Asked Questions

What is the IUPAC name of 2,3,5-trichloro-6-ethylsulfanylpyridine?
The IUPAC name of 2,3,5-trichloro-6-ethylsulfanylpyridine (CID 102752225) is 2,3,5-trichloro-6-ethylsulfanylpyridine.
What is the SMILES notation for 2,3,5-trichloro-6-ethylsulfanylpyridine?
The canonical SMILES for 2,3,5-trichloro-6-ethylsulfanylpyridine is CCSc1nc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 2,3,5-trichloro-6-ethylsulfanylpyridine?
The InChIKey is LKMSTTSFRKFJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl3NS/c1-2-12-7-5(9)3-4(8)6(10)11-7/h3H,2H2,1H3.
What are the key properties of 2,3,5-trichloro-6-ethylsulfanylpyridine?
2,3,5-trichloro-6-ethylsulfanylpyridine has a molecular weight of 242.56 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trichloro-6-ethylsulfanylpyridine is sourced from PubChem (CID 102752225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).