Imidazo(2,1-b)thiazole, 2,3-dihydro-6-(methylphenyl)-5-nitro-
Basic information
- CAS
96125-79-0- Standard SMILES
Cc1ccccc1-c1nc2n(c1[N+](=O)[O-])CCS2- InChIKey
WAUQNAUKANCQFA-UHFFFAOYSA-N- Molecular formula
- C12H11N3O2S
- Average molar mass
- 261.3 g/mol
- Monoisotopic mass
- 261.05719778
Names & identifiers
- Preferred name
- Imidazo(2,1-b)thiazole, 2,3-dihydro-6-(methylphenyl)-5-nitro-
- IUPAC
- 6-(2-methylphenyl)-5-nitro-2,3-dihydroimidazo[2,1-b][1,3]thiazole
- English name
- 6-(methylphenyl)-5-nitroimidazo(2,1-b)thiazole
- Molecular formula
- C12H9N3O2S
- Molecular weight
- 259.28376
Names & synonyms
Imidazo(2,1-b)thiazole, 2,3-dihydro-6-(methylphenyl)-5-nitro-DTXSID902421342,3-Dihydro-6-(methylphenyl)-5-nitroimidazo(2,1-b)thiazole6-(2-methylphenyl)-5-nitro-2,3-dihydroimidazo[2,1-b][1,3]thiazole6-(methylphenyl)-5-nitroimidazo(2,1-b)thiazole
Database identifiers
- CAS
96125-79-0- PubChem CID
- 150398
- DTXSID
DTXSID90242134
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 88.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 336
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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