Basic information
- CAS
1443310-63-1- Standard SMILES
CSc1ccccc1OCCC(C)C- InChIKey
POJBXRPVPWQORU-UHFFFAOYSA-N- Molecular formula
- C12H18OS
- Average molar mass
- 210.34 g/mol
- Monoisotopic mass
- 210.10783637
Names & identifiers
- Preferred name
- Methyl 2-iso-pentoxyphenyl sulfide
- IUPAC
- 1-(3-methylbutoxy)-2-methylsulfanylbenzene
Names & synonyms
Methyl 2-iso-pentoxyphenyl sulfide1443310-63-1(2-(isopentyloxy)phenyl)(methyl)sulfaneMFCD223735921-(3-methylbutoxy)-2-methylsulfanylbenzeneDTXSID1012629551-isopentyloxy-2-methylsulfanyl-benzeneBenzene, 1-(3-methylbutoxy)-2-(methylthio)-F3931701-(3-METHYLBUTOXY)-2-(METHYLSULFANYL)BENZENE
Database identifiers
- CAS
1443310-63-1- PubChem CID
- 91655331
- DTXSID
DTXSID101262955
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 34.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 147
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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