Basic information
- Standard SMILES
CSCCCOc1cc(C)c(B(O)O)c(C)c1- InChIKey
GPXCEIPTTBMETI-UHFFFAOYSA-N- Molecular formula
- C12H19BO3S
- Average molar mass
- 254.16 g/mol
Names & identifiers
- Preferred name
- {2,6-Dimethyl-4-[3-(methylthio)propoxy]phenyl}boronic acid
- IUPAC
- [2,6-dimethyl-4-(3-methylsulfanylpropoxy)phenyl]boronic acid
Names & synonyms
SCHEMBL205849GPXCEIPTTBMETI-UHFFFAOYSA-N{2,6-dimethyl-4-[3-(methylthio)propoxy]phenyl}boronic acid
Database identifiers
- PubChem CID
- 59342549
Properties
Computed structural properties
- Topological polar surface area
- 75 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 204
Related reactions
5 records
Linked notes
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