Basic information
- CAS
96125-76-7- Standard SMILES
O=[N+]([O-])c1ccccc1-c1nc2n(c1[N+](=O)[O-])CCS2- InChIKey
VXCPMUAPIXVAHG-UHFFFAOYSA-N- Molecular formula
- C11H8N4O4S
- Average molar mass
- 292.27 g/mol
- Monoisotopic mass
- 292.02662592
Names & identifiers
- Preferred name
- Imidazo(2,1-b)thiazole, 2,3-dihydro-5-nitro-6-(nitrophenyl)-
- IUPAC
- 5-nitro-6-(2-nitrophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole
- English name
- 5-nitro-6-(nitrophenyl)imidazo(2,1-b)thiazole
- Molecular formula
- C11H6N4O4S
- Molecular weight
- 290.25474
Names & synonyms
96125-76-7Imidazo(2,1-b)thiazole, 2,3-dihydro-5-nitro-6-(nitrophenyl)-DTXSID702421322,3-Dihydro-5-nitro-6-(nitrophenyl)imidazo(2,1-b)thiazole5-nitro-6-(2-nitrophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole5-nitro-6-(nitrophenyl)imidazo(2,1-b)thiazole
Database identifiers
- CAS
96125-76-7- PubChem CID
- 150396
- DTXSID
DTXSID70242132
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 412
Chemistry & industry
Suppliers1 total
AQS-USA.INC.—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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