((5-Nitro-2-thiazolyl)thio)pyrazine 1-oxide

Substructure search Find similar structures

Basic information

CAS: 72567-28-3
Standard SMILES: O=[N+]([O-])c1cnc(Sc2cncc[n+]2[O-])s1
InChIKey: XZSXMOWXSCNZSP-UHFFFAOYSA-N
Molecular formula: C7H4N4O3S2
Average molar mass: 256.3 g/mol
Monoisotopic mass: 255.97248199

Names & identifiers

Preferred name: ((5-Nitro-2-thiazolyl)thio)pyrazine 1-oxide
IUPAC: 5-nitro-2-(1-oxidopyrazin-1-ium-2-yl)sulfanyl-1,3-thiazole

Names & synonyms

NSC31391772567-28-3((5-Nitro-2-thiazolyl)thio)pyrazine 1-oxideSCHEMBL11521972DTXSID90317270XZSXMOWXSCNZSP-UHFFFAOYSA-NNSC-3139172-(5-Nitro-thiazol-2-ylsulfanyl)-pyrazine 1-oxide5-nitro-2-(1-oxidopyrazin-1-ium-2-yl)sulfanyl-thiazole2-[(5-Nitro-1,3-thiazol-2-yl)sulfanyl]-1-oxo-1lambda~5~-pyrazine

Database identifiers

CAS: 72567-28-3
PubChem CID: 329658
DTXSID: DTXSID90317270

Properties

Computed structural properties

XLogP: 0.7
Topological polar surface area: 151 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 7
Rotatable bonds: 2
Heavy atoms: 16
Formal charge: 0
Complexity: 265

Related reactions

2 records

New reaction record

HRID 46619As reactantuspto-grants-1979_11

HRID 317873As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

Compound notes

Loading…