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Home > Encyclopedia > Ethanethioic acid, S-[(2-pyridinylthio)methyl] ester (9CI)

Ethanethioic acid, S-[(2-pyridinylthio)methyl] ester (9CI)

Ethanethioic acid, S-[(2-pyridinylthio)methyl] ester (9CI) structure

Ethanethioic acid, S-[(2-pyridinylthio)methyl] ester (9CI) 

structure
  • CAS No:

    140128-04-7

  • Formula:

    C8H9NOS2

  • Chemical Name:

    Ethanethioic acid, S-[(2-pyridinylthio)methyl] ester (9CI)

  • Synonyms:

    Ethanethioic acid,S-[(2-pyridinylthio)methyl] ester;2-acetylthiomethylthiopyridine;ACMC-20mzed;SCHEMBL8441457;CTK4C2072;DTXSID00440341;S-(pyridin-2-ylsulfanylmethyl) ethanethioate;S-{[(Pyridin-2-yl)sulfanyl]methyl} ethanethioate

Ethanethioic acid, S-[(2-pyridinylthio)methyl] ester (9CI) Basic Attributes

199.29316

199.013

DTXSID00440341

Characteristics

80.6

2.2

1.26±0.1 g/cm3(Predicted)

302.3±22.0 °C(Predicted)

Computed Properties

Molecular Weight:199.3
XLogP3:2.2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:199.01255626
Monoisotopic Mass:199.01255626
Topological Polar Surface Area:80.6
Heavy Atom Count:12
Complexity:152
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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