2-Methyl-7-nitro-1-thia-4a,9-diaza-fluoren-4-one
Basic information
- CAS
64411-79-6- Standard SMILES
Cc1cc(=O)n2c(nc3cc([N+](=O)[O-])ccc32)s1- InChIKey
POWIWPDTQMHRHK-UHFFFAOYSA-N- Molecular formula
- C11H7N3O3S
- Average molar mass
- 261.26 g/mol
- Monoisotopic mass
- 261.02081227
Names & identifiers
- Preferred name
- 2-Methyl-7-nitro-1-thia-4a,9-diaza-fluoren-4-one
- IUPAC
- 2-methyl-8-nitro-[1,3]thiazino[3,2-a]benzimidazol-4-one
Names & synonyms
2-Methyl-7-nitro-1-thia-4a,9-diaza-fluoren-4-oneXTW72JW8DV64411-79-6NSC 297312NSC-297312DTXSID80214663RefChem:88222DTXCID10137154UNII-XTW72JW8DVNSC2973122-methyl-8-nitro-[1,3]thiazino[3,2-a]benzimidazol-4-one2-Methyl-8-nitro-4H-[1,3]thiazino[3,2-a][1,3]benzimidazol-4-one
Database identifiers
- CAS
64411-79-6- PubChem CID
- 326283
- DTXSID
DTXSID80214663- UNII
- XTW72JW8DV
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 434
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Compound notes
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