Basic information
- Standard SMILES
COC(=O)c1ccc(C(=O)C=C(SC)SC)cc1- InChIKey
UXDIVAFZYHIUCV-UHFFFAOYSA-N- Molecular formula
- C13H14O3S2
- Average molar mass
- 282.4 g/mol
Names & identifiers
- Preferred name
- Methyl 4-(3,3-bis(methylthio)acryloyl)benzoate
- IUPAC
- methyl 4-[3,3-bis(methylsulfanyl)prop-2-enoyl]benzoate
Names & synonyms
SCHEMBL1162890UXDIVAFZYHIUCV-UHFFFAOYSA-Nmethyl 4-(3,3-bis(methylthio)acryloyl)benzoate
Database identifiers
- PubChem CID
- 86665698
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 94 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 325
Related reactions
1 records
Compound notes
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