N,N-Dimethyl-[2,2'-bipyridine]-6-carbothioamide

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Basic information

CAS: 78797-04-3
Standard SMILES: CN(C)C(=S)c1cccc(-c2ccccn2)n1
InChIKey: LYYIAEHXIMCXNS-UHFFFAOYSA-N
Molecular formula: C13H13N3S
Average molar mass: 243.33 g/mol
Monoisotopic mass: 243.0830186

Names & identifiers

Preferred name: N,N-Dimethyl-[2,2'-bipyridine]-6-carbothioamide
IUPAC: N,N-dimethyl-6-pyridin-2-ylpyridine-2-carbothioamide
English name: N,N-dimethyl-6-pyridin-2-yl-pyridine-2-carbothioamide
Molecular formula: C13H13N3S
Molecular weight: 0

Names & synonyms

78797-04-3N,N-DIMETHYL-[2,2'-BIPYRIDINE]-6-CARBOTHIOAMIDENSC315632CHEMBL276732DTXSID70317450AG-H-16039NSC-315632N,N-Dimethyl[2,2'-bipyridine]-6-carbothioamideN,N-dimethyl-6-pyridin-2-yl-pyridine-2-carbothioamide

Database identifiers

CAS: 78797-04-3
PubChem CID: 330069
DTXSID: DTXSID70317450
ChEMBL: CHEMBL276732

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 61.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 17
Formal charge: 0
Complexity: 267

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Compound notes

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