Basic information
- CAS
56910-59-9- Standard SMILES
Cc1ncc([N+](=O)[O-])n1Cc1nncs1- InChIKey
DXLSOVLZWVCUTA-UHFFFAOYSA-N- Molecular formula
- C7H7N5O2S
- Average molar mass
- 225.23 g/mol
- Monoisotopic mass
- 225.03204566
Names & identifiers
- Preferred name
- 2-[(2-Methyl-5-nitroimidazol-1-yl)methyl]-1,3,4-thiadiazole
- IUPAC
- 2-[(2-methyl-5-nitroimidazol-1-yl)methyl]-1,3,4-thiadiazole
Names & synonyms
NSC29443256910-59-92-[(2-Methyl-5-nitro-1H-imidazol-1-yl)methyl]-1,3,4-thiadiazole2-[(2-methyl-5-nitroimidazol-1-yl)methyl]-1,3,4-thiadiazoleDTXSID50315414NSC-2944322-[(2-methyl-5-nitro-imidazol-1-yl)methyl]-1,3,4-thiadiazole
Database identifiers
- CAS
56910-59-9- PubChem CID
- 325540
- DTXSID
DTXSID50315414
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 248
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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