Basic information
- Standard SMILES
COC(=O)c1cc2cc(OC(=S)N(C)C)ccc2o1- InChIKey
JWGLZXJTPFJXJH-UHFFFAOYSA-N- Molecular formula
- C13H13NO4S
- Average molar mass
- 279.31 g/mol
- Monoisotopic mass
- 279.05652907
Names & identifiers
- Preferred name
- 5-Dimethylthiocarbamoyloxy-benzofuran-2-carboxylic acid methyl ester
- IUPAC
- methyl 5-(dimethylcarbamothioyloxy)-1-benzofuran-2-carboxylate
Names & synonyms
SCHEMBL5858853JWGLZXJTPFJXJH-UHFFFAOYSA-N5-Dimethylthiocarbamoyloxy-benzofuran-2-carboxylic acid methyl ester
Database identifiers
- PubChem CID
- 20766009
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 84 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 361
Related reactions
4 records
Compound notes
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