Basic information
- CAS
16408-06-3- Standard SMILES
O=[N+]([O-])c1cc([N+](=O)[O-])c2nsnc2c1- InChIKey
BYLOIWCTRDPRTP-UHFFFAOYSA-N- Molecular formula
- C6H2N4O4S
- Average molar mass
- 226.17 g/mol
- Monoisotopic mass
- 225.97967573
Names & identifiers
- Preferred name
- 4,6-Dinitro-2,1,3-benzothiadiazole
- IUPAC
- 4,6-dinitro-2,1,3-benzothiadiazole
Names & synonyms
4,6-Dinitro-2,1,3-benzothiadiazole16408-06-35,7-dinitro-2,1,3-benzothiadiazole4,6-dinitrobenzo[c][1,2,5]thiadiazoleCHEMBL206140NSC-2024272,1,3-Benzothiadiazole, 4,6-dinitro-NSC202427TZ4RRX7H54DTXSID90308123BYLOIWCTRDPRTP-UHFFFAOYSA-NBDBM50182130
Show more names
STK744333AKOS0005447904,6-dinitrobenzo[c]1,2,5-thiadiazole4,6-Dinitro-2,1,3-benzothiadiazole #NCI60_001699PD181957ST032375
Database identifiers
- CAS
16408-06-3- PubChem CID
- 305451
- DTXSID
DTXSID90308123- ChEMBL
CHEMBL206140- UNII
- TZ4RRX7H54
- Nikkaji
- J2.338.190G、J3.665.763D
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 290
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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