Basic information
- CAS
31898-41-6- Standard SMILES
CC(=O)c1csc(-c2ccc([N+](=O)[O-])s2)n1- InChIKey
AVTRLXYDXJLMQR-UHFFFAOYSA-N- Molecular formula
- C9H6N2O3S2
- Average molar mass
- 254.3 g/mol
- Monoisotopic mass
- 253.9819844
Names & identifiers
- Preferred name
- Ethanone, 1-(2-(5-nitro-2-thienyl)-4-thiazolyl)-
- IUPAC
- 1-[2-(5-nitrothiophen-2-yl)-1,3-thiazol-4-yl]ethanone
Names & synonyms
31898-41-6BRN 0533936Ethanone, 1-(2-(5-nitro-2-thienyl)-4-thiazolyl)-2-(5-Nitro-2-thienyl)-4-acetylthiazole1-(2-(5-Nitro-2-thienyl)-4-thiazolyl)ethanoneDTXSID50185755RefChem:341091DTXCID901082461-[2-(5-Nitrothiophen-2-yl)-1,3-thiazol-4-yl]ethan-1-one
Database identifiers
- CAS
31898-41-6- PubChem CID
- 208282
- DTXSID
DTXSID50185755
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 308
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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