Basic information
- Standard SMILES
COC(=O)c1cc(Sc2ccoc2C)c([N+](=O)[O-])s1- InChIKey
BKIYMAXZNYVWMT-UHFFFAOYSA-N- Molecular formula
- C11H9NO5S2
- Average molar mass
- 299.3 g/mol
- Monoisotopic mass
- 298.99221473
Names & identifiers
- Preferred name
- 4-(2-Methyl-furan-3-ylsulfanyl)-5-nitro-thiophene-2-carboxylic acid methyl ester
- IUPAC
- methyl 4-(2-methylfuran-3-yl)sulfanyl-5-nitrothiophene-2-carboxylate
Names & synonyms
SCHEMBL5841241BKIYMAXZNYVWMT-UHFFFAOYSA-N4-(2-Methyl-furan-3-ylsulfanyl)-5-nitro-thiophene-2-carboxylic acid methyl ester
Database identifiers
- PubChem CID
- 69586709
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 139 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 361
Related reactions
3 records
Compound notes
Loading…