Basic information
- CAS
3956-51-2- Standard SMILES
Cc1cn2ccsc2n1.O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1- InChIKey
ITYDYGIYGCEMDV-UHFFFAOYSA-N- Molecular formula
- C12H9N5O7S
- Average molar mass
- 367.3 g/mol
- Monoisotopic mass
- 367.02226882
Names & identifiers
- Preferred name
- 6-Methylimidazo[2,1-b][1,3]thiazole;2,4,6-trinitrophenol
- IUPAC
- 6-methylimidazo[2,1-b][1,3]thiazole;2,4,6-trinitrophenol
Names & synonyms
3956-51-2NSC315205DTXSID20317389NSC-3152052,4,6-Trinitrophenol--6-methylimidazo[2,1-b][1,3]thiazole (1/1)
Database identifiers
- CAS
3956-51-2- PubChem CID
- 329945
- DTXSID
DTXSID20317389
Properties
Computed structural properties
- Topological polar surface area
- 203 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 0
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 409
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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