Basic information
- CAS
5458-04-8- Standard SMILES
CCSC(=O)c1ccc([N+](=O)[O-])o1- InChIKey
BIKPMVNWCZMWOB-UHFFFAOYSA-N- Molecular formula
- C7H7NO4S
- Average molar mass
- 201.2 g/mol
- Monoisotopic mass
- 201.00957888
Names & identifiers
- Preferred name
- s-Ethyl 5-nitrofuran-2-carbothioate
- IUPAC
- S-ethyl 5-nitrofuran-2-carbothioate
- English name
- ethylsulfanyl-(5-nitro-2-furyl)methanone
- Molecular formula
- C7H7NO4S
- Molecular weight
- 0
Names & synonyms
s-ethyl 5-nitrofuran-2-carbothioate5458-04-8NSC23781DTXSID60282002NSC-237815-Nitro-2-furoic acid ethyl thioesterethylsulfanyl-(5-nitro-2-furyl)methanone
Database identifiers
- CAS
5458-04-8- PubChem CID
- 229804
- DTXSID
DTXSID60282002
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 215
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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