5-Nitrothieno(3,2-d)thiazole
Basic information
- CAS
66646-12-6- Standard SMILES
O=[N+]([O-])c1cc2ncsc2s1- InChIKey
QLWJGDNITQQVOO-UHFFFAOYSA-N- Molecular formula
- C5H2N2O2S2
- Average molar mass
- 186.2 g/mol
- Monoisotopic mass
- 185.95576966
Names & identifiers
- Preferred name
- 5-Nitrothieno(3,2-d)thiazole
- IUPAC
- 5-nitrothieno[3,2-d][1,3]thiazole
Names & synonyms
5-Nitrothieno[3,2-d]thiazole66646-12-65-Nitrothieno(3,2-d)thiazoleRefChem:304469DTXSID9013097395-Nitrothieno[3,2-d][1,3]thiazole
Database identifiers
- CAS
66646-12-6- PubChem CID
- 12415433
- DTXSID
DTXSID901309739
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 184
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Related reactions
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Compound notes
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