Basic information
- CAS
61151-05-1- Standard SMILES
CCCCCCCCSCc1cc(C(C)(C)C)cc(CSCCCCCCCC)c1O- InChIKey
HKICWTPZMRVTSZ-UHFFFAOYSA-N- Molecular formula
- C28H50OS2
- Average molar mass
- 466.8 g/mol
- Monoisotopic mass
- 466.33030856
Names & identifiers
- Preferred name
- 4-Tert-butyl-2,6-bis[(octylsulfanyl)methyl]phenol
- IUPAC
- 4-tert-butyl-2,6-bis(octylsulfanylmethyl)phenol
Names & synonyms
61151-05-1SCHEMBL39966064-TERT-BUTYL-2,6-BIS[(OCTYLSULFANYL)METHYL]PHENOLDTXSID30601347
Database identifiers
- CAS
61151-05-1- PubChem CID
- 19927240
- DTXSID
DTXSID30601347
Properties
Computed structural properties
- XLogP
- 11
- Topological polar surface area
- 70.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 19
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 376
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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