Benzeneacetic acid, 4-(1,3-dithian-2-yl)-alpha-methyl-
Basic information
- CAS
43153-06-6- Standard SMILES
CC(C(=O)O)c1ccc(C2SCCCS2)cc1- InChIKey
DNPGTDLVZYNMOG-UHFFFAOYSA-N- Molecular formula
- C13H16O2S2
- Average molar mass
- 268.4 g/mol
- Monoisotopic mass
- 268.0591721
Names & identifiers
- Preferred name
- Benzeneacetic acid, 4-(1,3-dithian-2-yl)-alpha-methyl-
- IUPAC
- 2-[4-(1,3-dithian-2-yl)phenyl]propanoic acid
Names & synonyms
4-(1,3-Dithian-2-yl)-alpha-methylbenzeneacetic acid43153-06-6Benzeneacetic acid, 4-(1,3-dithian-2-yl)-alpha-methyl-Acide ((dithianne-2,6)-4' phenyl)-2 propionique [French]Acide ((dithianne-2,6)-4' phenyl)-2 propioniqueRefChem:3241602-[4-(1,3-dithian-2-yl)phenyl]propanoic acidDTXSID70962929
Database identifiers
- CAS
43153-06-6- PubChem CID
- 206204
- DTXSID
DTXSID70962929
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 87.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 256
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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