Basic information
- Standard SMILES
COC(=O)c1cc(Sc2ccccc2OC)c([N+](=O)[O-])s1- InChIKey
ZZTJEKOWDZDJDK-UHFFFAOYSA-N- Molecular formula
- C13H11NO5S2
- Average molar mass
- 325.4 g/mol
- Monoisotopic mass
- 325.0078648
Names & identifiers
- Preferred name
- 4-(2-Methoxy-phenylsulfanyl)-5-nitro-thiophene-2-carboxylic acid methyl ester
- IUPAC
- methyl 4-(2-methoxyphenyl)sulfanyl-5-nitrothiophene-2-carboxylate
Names & synonyms
SCHEMBL5840639ZZTJEKOWDZDJDK-UHFFFAOYSA-N4-(2-methoxy-phenylsulfanyl)-5-nitro-thiophene-2-carboxylic acid methyl ester
Database identifiers
- PubChem CID
- 69586540
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 389
Related reactions
6 records
Compound notes
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