2,2-Dimethylpropoxysulfanylbenzene
Basic information
- CAS
61665-77-8- Standard SMILES
CC(C)(C)COSc1ccccc1- InChIKey
GDCZOCAHTVDUTA-UHFFFAOYSA-N- Molecular formula
- C11H16OS
- Average molar mass
- 196.31 g/mol
- Monoisotopic mass
- 196.0921863
Names & identifiers
- Preferred name
- 2,2-Dimethylpropoxysulfanylbenzene
- IUPAC
- 2,2-dimethylpropoxysulfanylbenzene
Names & synonyms
61665-77-82,2-dimethylpropoxysulfanylbenzeneNSC259696[(2,2-Dimethylpropoxy)sulfanyl]benzeneDTXSID70312627NSC-259696DS-003477
Database identifiers
- CAS
61665-77-8- PubChem CID
- 318901
- DTXSID
DTXSID70312627
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 34.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 134
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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