Basic information
- CAS
201611-78-1- Standard SMILES
CC(=O)OC(C)SC(=S)c1ccccc1- InChIKey
RLPYLDPCIHDUQA-UHFFFAOYSA-N- Molecular formula
- C11H12O2S2
- Average molar mass
- 240.3 g/mol
- Monoisotopic mass
- 240.02787162
Names & identifiers
- Preferred name
- 1-Acetoxyethyl dithiobenzoate
- IUPAC
- 1-(benzenecarbonothioylsulfanyl)ethyl acetate
Names & synonyms
1-acetoxyethyl dithiobenzoate201611-78-1SCHEMBL160954DTXSID80433150RLPYLDPCIHDUQA-UHFFFAOYSA-N1-[(Benzenecarbothioyl)sulfanyl]ethyl acetate
Database identifiers
- CAS
201611-78-1- PubChem CID
- 9942835
- DTXSID
DTXSID80433150
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 83.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 235
Related reactions
5 records
Compound notes
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