Basic information
- CAS
66616-26-0- Standard SMILES
CCOC(CSc1ccccc1)OCC- InChIKey
XGVOYFSWJOHTFC-UHFFFAOYSA-N- Molecular formula
- C12H18O2S
- Average molar mass
- 226.34 g/mol
- Monoisotopic mass
- 226.10275099
Names & identifiers
- Preferred name
- [(2,2-Diethoxyethyl)sulfanyl]benzene
- IUPAC
- 2,2-diethoxyethylsulfanylbenzene
Names & synonyms
66616-26-0[(2,2-Diethoxyethyl)sulfanyl]benzene(phenylthio)acetaldehyde diethyl acetal2,2-diethoxyethylsulfanylbenzene(2,2-Diethoxyethyl)(phenyl)sulfaneBenzene, [(2,2-diethoxyethyl)thio]-starbld0029759SCHEMBL12135641DTXSID10499264(phenylthio)acetaldehyde diethylacetalAKOS012940314CS-0299250
Show more names
EN300-394604
Database identifiers
- CAS
66616-26-0- PubChem CID
- 12463580
- DTXSID
DTXSID10499264- Nikkaji
- J651.642D
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 43.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 141
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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