5-Methyl-2-(2-methylbutan-2-yl)-4-sulfanylphenol
Basic information
- CAS
69279-00-1- Standard SMILES
CCC(C)(C)c1cc(S)c(C)cc1O- InChIKey
WPPILGXFGJZLTM-UHFFFAOYSA-N- Molecular formula
- C12H18OS
- Average molar mass
- 210.34 g/mol
- Monoisotopic mass
- 210.10783637
Names & identifiers
- Preferred name
- 5-Methyl-2-(2-methylbutan-2-yl)-4-sulfanylphenol
- IUPAC
- 5-methyl-2-(2-methylbutan-2-yl)-4-sulfanylphenol
Names & synonyms
5-methyl-2-(2-methylbutan-2-yl)-4-sulfanylphenolDTXSID80989001WPPILGXFGJZLTM-UHFFFAOYSA-N
Database identifiers
- CAS
69279-00-1- PubChem CID
- 112273
- DTXSID
DTXSID80989001
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 21.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 191
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…