3-Pyridinecarboxamide, 5-mercapto-N,N-dimethyl-

HCID 57763183

Notes Reactions

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Basic information

CAS: 801316-03-0
Standard SMILES: CN(C)C(=O)c1cncc(S)c1
InChIKey: KAQZRLLAJLVZBQ-UHFFFAOYSA-N
Molecular formula: C8H10N2OS
Average molar mass: 182.25 g/mol
Monoisotopic mass: 182.05138412

Names & identifiers

Preferred name: 3-Pyridinecarboxamide, 5-mercapto-N,N-dimethyl-
IUPAC: N,N-dimethyl-5-sulfanylpyridine-3-carboxamide

Names & synonyms

3-Pyridinecarboxamide, 5-mercapto-N,N-dimethyl-801316-03-0SCHEMBL2480572KAQZRLLAJLVZBQ-UHFFFAOYSA-NDTXSID3012439335-Mercapto-N,N-dimethyl-3-pyridinecarboxamideN,N-dimethyl-5-sulfanylpyridine-3-carboxamide

Database identifiers

CAS: 801316-03-0
PubChem CID: 57763183
DTXSID: DTXSID301243933

Properties

Computed structural properties

XLogP: 0.5
Topological polar surface area: 34.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 172

Related reactions

3 records

New reaction record

HRID 108327As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 230858As productuspto-grants-2009_07

HRID 2101678As productuspto-grants-2009_08

Compound notes

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