2-Acetylthiomethylthiopyridine

Base Information

• Chemical Name: 2-Acetylthiomethylthiopyridine
• CAS No.: 140128-04-7
• Molecular Formula: C8H9 N O S2
• Molecular Weight: 199.29316
• DSSTox Substance ID: DTXSID00440341
• Wikidata: Q82256619
• Mol file: 140128-04-7.mol

Synonyms:140128-04-7;2-acetylthiomethylthiopyridine;Ethanethioic acid, S-[(2-pyridinylthio)methyl] ester (9CI);S-(pyridin-2-ylsulfanylmethyl) ethanethioate;SCHEMBL8441457;DTXSID00440341;ROMCSXIFYLATJV-UHFFFAOYSA-N;S-{[(Pyridin-2-yl)sulfanyl]methyl} ethanethioate

Chemical Property of 2-Acetylthiomethylthiopyridine

Chemical Property:

• Boiling Point: 302.3±22.0 °C(Predicted)
• PKA: 2.20±0.19(Predicted)
• PSA: 80.56000
• Density: 1.26±0.1 g/cm3(Predicted)
• LogP: 2.41090
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 199.01255626
• Heavy Atom Count: 12
• Complexity: 152

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)SCSC1=CC=CC=N1

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