3-(Piperidine-1-sulfonyl)-pyridine-4-thiol

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Basic information

CAS: 73742-64-0
Standard SMILES: O=S(=O)(c1c[nH]ccc1=S)N1CCCCC1
InChIKey: WXYBUOWVZCQIDL-UHFFFAOYSA-N
Molecular formula: C10H14N2O2S2
Average molar mass: 258.4 g/mol
Monoisotopic mass: 258.04967004

Names & identifiers

Preferred name: 3-(Piperidine-1-sulfonyl)-pyridine-4-thiol
IUPAC: 3-piperidin-1-ylsulfonyl-1H-pyridine-4-thione

Names & synonyms

3-(1-Piperidinylsulfonyl)-4-pyridinethiol3-(Piperidine-1-sulfonyl)-pyridine-4-thiolOprea1_34230573742-64-0DTXSID2012721613-(Piperidine-1-sulfonyl)pyridine-4-thiolAJ-333/25006193

Database identifiers

CAS: 73742-64-0
PubChem CID: 12554644
DTXSID: DTXSID201272161

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 89.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 16
Formal charge: 0
Complexity: 440

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Compound notes

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