3H-[1,2,4]thiadiazolo[4,3-a]pyridine 2,2-dioxide

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Basic information

CAS: 42897-75-6
Standard SMILES: O=S1(=O)CN2C=CC=CC2=N1
InChIKey: VAWLTOMHUVKADD-UHFFFAOYSA-N
Molecular formula: C6H6N2O2S
Average molar mass: 170.19 g/mol
Monoisotopic mass: 170.01499861

Names & identifiers

Preferred name: 3H-[1,2,4]thiadiazolo[4,3-a]pyridine 2,2-dioxide
IUPAC: 3H-[1,2,4]thiadiazolo[4,3-a]pyridine 2,2-dioxide

Names & synonyms

42897-75-63H-[1,2,4]thiadiazolo[4,3-a]pyridine 2,2-dioxideNSC196161DTXSID20307881NSC-196161DS-0141913H-[1,2,4]THIADIAZOLO[4,3-A]PYRIDINE,2,2-DIOXIDE2lambda~6~-[1,2,4]Thiadiazolo[4,3-a]pyridine-2,2(3H)-dione

Database identifiers

CAS: 42897-75-6
PubChem CID: 304356
DTXSID: DTXSID20307881

Properties

Computed structural properties

XLogP: -0.1
Topological polar surface area: 58.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 359

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Compound notes

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