Acetonitrile, (1,2,4-triazolo[4,3-a]pyridin-3-ylthio)-

HCID 9503372

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Basic information

CAS: 88630-47-1
Standard SMILES: N#CCSc1nnc2ccccn12
InChIKey: CESDZCZLBYNJMH-UHFFFAOYSA-N
Molecular formula: C8H6N4S
Average molar mass: 190.23 g/mol
Monoisotopic mass: 190.03131738

Names & identifiers

Preferred name: Acetonitrile, (1,2,4-triazolo[4,3-a]pyridin-3-ylthio)-
IUPAC: 2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetonitrile

Names & synonyms

88630-47-12-([1,2,4]Triazolo[4,3-a]pyridin-3-ylthio)acetonitrileAcetonitrile, (1,2,4-triazolo[4,3-a]pyridin-3-ylthio)-SCHEMBL11188407DTXSID80429457CESDZCZLBYNJMH-UHFFFAOYSA-NAKOS008909451Z20242348(1,2,4-Triazolo[4,3-a]pyridin-3-ylthio)-acetonitrileF6840-1937[([1,2,4]Triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetonitrile2-{[1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl}acetonitrile

Database identifiers

CAS: 88630-47-1
PubChem CID: 9503372
DTXSID: DTXSID80429457

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 79.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 223

Related reactions

1 records

New reaction record

HRID 904746As productuspto-grants-1983_12

Compound notes

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