4-Methyl-7-nitrobenzo[1,2,5]thiadiazole

HCID 676447

Notes Reactions

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Basic information

Standard SMILES: Cc1ccc([N+](=O)[O-])c2nsnc12
InChIKey: NTZTXANDSQZDAO-UHFFFAOYSA-N
Molecular formula: C7H5N3O2S
Average molar mass: 195.2 g/mol

Names & identifiers

Preferred name: 4-Methyl-7-nitrobenzo[1,2,5]thiadiazole
IUPAC: 7-methyl-4-nitro-2,1,3-benzothiadiazole

Names & synonyms

SCHEMBL3181251NTZTXANDSQZDAO-UHFFFAOYSA-NAKOS0015863294-methyl-7-nitrobenzo-2,1,3-thiadiazole4-methyl-7-nitrobenzo[1,2,5]thiadiazole4-methyl-7-nitro-benzo[1,2,5]thiadiazole4-methyl-7-nitrobenzo[c][1,2,5]thiadiazoleSR-01000389721SR-01000389721-1

Database identifiers

PubChem CID: 676447

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 99.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 0
Heavy atoms: 13
Formal charge: 0
Complexity: 220

Related reactions

4 records

New reaction record

HRID 723733As productuspto-grants-2006_11

HRID 1441873As productuspto-grants-2010_02

HRID 2110496As productuspto-grants-2009_04

HRID 2378478As productuspto-grants-2008_12

Compound notes

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