5-Methyl-2-[(5-methyl-3-nitropyridin-2-yl)disulfanyl]-3-nitropyridine

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Basic information

CAS: 7403-89-6
Standard SMILES: Cc1cnc(SSc2ncc(C)cc2[N+](=O)[O-])c([N+](=O)[O-])c1
InChIKey: WUWORZPABHBRGM-UHFFFAOYSA-N
Molecular formula: C12H10N4O4S2
Average molar mass: 338.4 g/mol
Monoisotopic mass: 338.01434716

Names & identifiers

Preferred name: 5-Methyl-2-[(5-methyl-3-nitropyridin-2-yl)disulfanyl]-3-nitropyridine
IUPAC: 5-methyl-2-[(5-methyl-3-nitro-2-pyridinyl)disulfanyl]-3-nitropyridine

Names & synonyms

7403-89-6NSC4033995-methyl-2-[(5-methyl-3-nitropyridin-2-yl)disulfanyl]-3-nitropyridineSCHEMBL11730092DTXSID50323231NSC-4033992,2'-Disulfanediylbis(5-methyl-3-nitropyridine)

Database identifiers

CAS: 7403-89-6
PubChem CID: 345667
DTXSID: DTXSID50323231

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 168 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 8
Rotatable bonds: 3
Heavy atoms: 22
Formal charge: 0
Complexity: 379

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Compound notes

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