5-Ethoxy-2-methyl-4-nitro-1,3-thiazole
Basic information
- CAS
89717-60-2- Standard SMILES
CCOc1sc(C)nc1[N+](=O)[O-]- InChIKey
YJQRKOOFNFWLHZ-UHFFFAOYSA-N- Molecular formula
- C6H8N2O3S
- Average molar mass
- 188.21 g/mol
- Monoisotopic mass
- 188.0255633
Names & identifiers
- Preferred name
- 5-Ethoxy-2-methyl-4-nitro-1,3-thiazole
- IUPAC
- 5-ethoxy-2-methyl-4-nitro-1,3-thiazole
Names & synonyms
5-ethoxy-2-methyl-4-nitro-1,3-thiazole89717-60-2DTXSID00297791RefChem:302850DTXCID80248928NSC118142NSC-118142
Database identifiers
- CAS
89717-60-2- PubChem CID
- 273145
- DTXSID
DTXSID00297791
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 96.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 173
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Compound notes
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