Basic information
- CAS
43028-99-5- Standard SMILES
CCOC(=O)c1csc([N+](=O)[O-])n1- InChIKey
XYRZVSBBTNCTLS-UHFFFAOYSA-N- Molecular formula
- C6H6N2O4S
- Average molar mass
- 202.19 g/mol
- Monoisotopic mass
- 202.00482785
Names & identifiers
- Preferred name
- Ethyl 2-nitro-1,3-thiazole-4-carboxylate
- IUPAC
- ethyl 2-nitro-1,3-thiazole-4-carboxylate
Names & synonyms
43028-99-5Ethyl 2-nitrothiazole-4-carboxylateNSC 355042ethyl 2-nitro-1,3-thiazole-4-carboxylateNSC355042SCHEMBL13310546DTXSID70320101MFCD28675517NSC-355042SY392319
Database identifiers
- CAS
43028-99-5- PubChem CID
- 337348
- DTXSID
DTXSID70320101
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 217
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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