2-Methyl-2-(phenylsulfanyl)butanal
Basic information
- CAS
98793-42-1- Standard SMILES
CCC(C)(C=O)Sc1ccccc1- InChIKey
BGPZPTWOOZSBCT-UHFFFAOYSA-N- Molecular formula
- C11H14OS
- Average molar mass
- 194.3 g/mol
- Monoisotopic mass
- 194.07653624
Names & identifiers
- Preferred name
- 2-Methyl-2-(phenylsulfanyl)butanal
- IUPAC
- 2-methyl-2-phenylsulfanylbutanal
Names & synonyms
98793-42-12-Methyl-2-(phenylsulfanyl)butanalDTXSID10540523
Database identifiers
- CAS
98793-42-1- PubChem CID
- 13428341
- DTXSID
DTXSID10540523
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 163
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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