1-(4-Hydroxy-4-methyl-2,6-diphenylthian-3-yl)ethanone
Basic information
- CAS
92760-85-5- Standard SMILES
CC(=O)C1C(c2ccccc2)SC(c2ccccc2)CC1(C)O- InChIKey
SGKXKAJYNFOHAR-UHFFFAOYSA-N- Molecular formula
- C20H22O2S
- Average molar mass
- 326.5 g/mol
- Monoisotopic mass
- 326.13405111
Names & identifiers
- Preferred name
- 1-(4-Hydroxy-4-methyl-2,6-diphenylthian-3-yl)ethanone
- IUPAC
- 1-(4-hydroxy-4-methyl-2,6-diphenylthian-3-yl)ethanone
Names & synonyms
1-(4-hydroxy-4-methyl-2,6-diphenylthian-3-yl)ethanone92760-85-5DTXSID30319713RefChem:225223DTXCID90270836NSC349816SCHEMBL9620292NSC-3498162-Acetyl-1,5-anhydro-2,4-dideoxy-3-C-methyl-1,5-diphenyl-1-thiopentitol
Database identifiers
- CAS
92760-85-5- PubChem CID
- 336246
- DTXSID
DTXSID30319713- Nikkaji
- J553.573E
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 412
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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