Basic information
- CAS
62750-57-6- Standard SMILES
CC(C)(O)c1ccccc1Sc1ccccc1C(C)(C)O- InChIKey
RKARZXNGUWSNDD-UHFFFAOYSA-N- Molecular formula
- C18H22O2S
- Average molar mass
- 302.4 g/mol
- Monoisotopic mass
- 302.13405111
Names & identifiers
- Preferred name
- 2-[2-[2-(2-Hydroxypropan-2-yl)phenyl]sulfanylphenyl]propan-2-ol
- IUPAC
- 2-[2-[2-(2-hydroxypropan-2-yl)phenyl]sulfanylphenyl]propan-2-ol
Names & synonyms
62750-57-6NSC2662892-[2-[2-(2-hydroxypropan-2-yl)phenyl]sulfanylphenyl]propan-2-olSCHEMBL18802708SCHEMBL29800339DTXSID60313123NSC-2662892,2'-[Sulfanediyldi(2,1-phenylene)]di(propan-2-ol)
Database identifiers
- CAS
62750-57-6- PubChem CID
- 320107
- DTXSID
DTXSID60313123
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 65.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 308
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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