chempirical

2-(4-Pyridinylthio)acetic acid

C7H7NO2SCAS 10351-19-6169.20 g/mol

Open in Covalent MOL file
OHOSN
AlcoholCarboxylic AcidSulfide

Properties

Molecular formula
C7H7NO2S
Molar mass
169.20 g/mol
Exact mass
169.0197 Da
Melting point
270 °C (decomposes)
logP
1.26Crippen estimate
Polar surface area
50.2 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3

Identifiers

CAS number
10351-19-6
SMILES
O=C(O)CSc1ccncc1
InChIKey
PGUPJAPHYIEKLT-UHFFFAOYSA-N
InChI
InChI=1S/C7H7NO2S/c9-7(10)5-11-6-1-3-8-4-2-6/h1-4H,5H2,(H,9,10)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

10 names
  • Acetic acid, 2-(4-pyridinylthio)-
  • Acetic acid, (4-pyridylthio)-
  • Acetic acid, (4-pyridinylthio)-
  • 4-[(Carboxymethyl)thio]pyridine
  • 4-Pyridylthioacetic acid
  • 4-Pyridinylthioacetic acid
  • 4-Pyridinylsulfanylacetic acid
  • 4-Pyridylmercaptoacetic acid
  • 2-(Pyridin-4-ylsulfanyl)acetic acid
  • 2-Pyridin-4-ylsulfanylacetic acid

Work with 2-(4-Pyridinylthio)acetic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Same formula

4-Amino-3-mercaptobenzoic acid14543-45-4 1-(Methylthio)-3-nitrobenzene2524-76-7

Elsewhere

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