2-ethylsulfanylpyridine-3-carbonyl chloride

C8H8ClNOS — CID 2774534

IUPAC2-ethylsulfanylpyridine-3-carbonyl chloride
SMILESCCSc1ncccc1C(=O)Cl
InChIInChI=1S/C8H8ClNOS/c1-2-12-8-6(7(9)11)4-3-5-10-8/h3-5H,2H2,1H3
InChIKeyHVBVEALTDTVCAO-UHFFFAOYSA-N
MW201.68 g/mol
LogP2.57
Rot. Bonds3

About 2-ethylsulfanylpyridine-3-carbonyl chloride

2-ethylsulfanylpyridine-3-carbonyl chloride (PubChem CID 2774534) has the molecular formula C8H8ClNOS and a molecular weight of 201.68 g/mol. Its IUPAC name is 2-ethylsulfanylpyridine-3-carbonyl chloride.

Molecular Properties

Compound Name2-ethylsulfanylpyridine-3-carbonyl chloride
PubChem CID2774534
Molecular FormulaC8H8ClNOS
Molecular Weight201.68 g/mol
Exact Mass201.00
IUPAC Name2-ethylsulfanylpyridine-3-carbonyl chloride
SMILESCCSc1ncccc1C(=O)Cl
InChIInChI=1S/C8H8ClNOS/c1-2-12-8-6(7(9)11)4-3-5-10-8/h3-5H,2H2,1H3
InChIKeyHVBVEALTDTVCAO-UHFFFAOYSA-N
XLogP2.57
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.68
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanylpyridine-3-carbonyl chloride?
The IUPAC name of 2-ethylsulfanylpyridine-3-carbonyl chloride (CID 2774534) is 2-ethylsulfanylpyridine-3-carbonyl chloride.
What is the SMILES notation for 2-ethylsulfanylpyridine-3-carbonyl chloride?
The canonical SMILES for 2-ethylsulfanylpyridine-3-carbonyl chloride is CCSc1ncccc1C(=O)Cl.
What is the InChIKey of 2-ethylsulfanylpyridine-3-carbonyl chloride?
The InChIKey is HVBVEALTDTVCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNOS/c1-2-12-8-6(7(9)11)4-3-5-10-8/h3-5H,2H2,1H3.
What are the key properties of 2-ethylsulfanylpyridine-3-carbonyl chloride?
2-ethylsulfanylpyridine-3-carbonyl chloride has a molecular weight of 201.68 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanylpyridine-3-carbonyl chloride is sourced from PubChem (CID 2774534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).