5-pyridin-2-ylsulfanyl-3H-1,3,4-thiadiazole-2-thione

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Basic information

CAS: 87468-08-4
Standard SMILES: S=c1[nH]nc(Sc2ccccn2)s1
InChIKey: FXHXRTGUKWMIIZ-UHFFFAOYSA-N
Molecular formula: C7H5N3S3
Average molar mass: 227.3 g/mol
Monoisotopic mass: 226.96456069

Names & identifiers

Preferred name: 5-pyridin-2-ylsulfanyl-3H-1,3,4-thiadiazole-2-thione
IUPAC: 5-pyridin-2-ylsulfanyl-3H-1,3,4-thiadiazole-2-thione
English name: 5-(Pyridin-2-ylsulfanyl)-1,3,4-thiadiazole-2-thiol
Molecular formula: C7H5N3S3
Molecular weight: 227.33

Names & synonyms

87468-08-45-pyridin-2-ylsulfanyl-3H-1,3,4-thiadiazole-2-thione5-(Pyridin-2-ylthio)-1,3,4-thiadiazole-2-thiolDTXSID503776985-[(Pyridin-2-yl)sulfanyl]-1,3,4-thiadiazole-2(3H)-thione1,3,4-Thiadiazole-2(3H)-thione, 5-(2-pyridinylthio)-5-(Pyridin-2-ylsulfanyl)-[1,3,4]thiadiazole-2-thiol5-(Pyridin-2-ylthio)-[1,3,4]thiadiazole-2-thiol

Database identifiers

CAS: 87468-08-4
PubChem CID: 2769372
DTXSID: DTXSID50377698

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 120 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 241

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Compound notes

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