1-(Methylthio)(1,2,4)triazolo(4,3-a)quinoline

HCID 582020

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Basic information

CAS: 35359-24-1
Standard SMILES: CSc1nnc2ccc3ccccc3n12
InChIKey: YBAGXSHWSZDEIP-UHFFFAOYSA-N
Molecular formula: C11H9N3S
Average molar mass: 215.28 g/mol
Monoisotopic mass: 215.05171847

Names & identifiers

Preferred name: 1-(Methylthio)(1,2,4)triazolo(4,3-a)quinoline
IUPAC: 1-methylsulfanyl-[1,2,4]triazolo[4,3-a]quinoline

Names & synonyms

35359-24-11-(Methylthio)[1,2,4]triazolo[4,3-a]quinoline1-(Methylthio)(1,2,4)triazolo(4,3-a)quinolineRefChem:2268211-Methylthio-S-triazolo[4,3-a]quinoline1-(Methylsulfanyl)[1,2,4]triazolo[4,3-a]quinolineSCHEMBL11775451YBAGXSHWSZDEIP-UHFFFAOYSA-NDTXSID601253795DB-3365031-(Methylsulfanyl)[1,2,4]triazolo[4,3-a]quinoline #[1,2,4]TRIAZOLO[4,3-A]QUINOLINE, 1-(METHYLTHIO)-

Database identifiers

CAS: 35359-24-1
PubChem CID: 582020
DTXSID: DTXSID601253795

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 55.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 15
Formal charge: 0
Complexity: 236

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