Dimethyl 2-phenylsulfanylhexanedioate
Basic information
- CAS
5331-03-3- Standard SMILES
COC(=O)CCCC(Sc1ccccc1)C(=O)OC- InChIKey
OJRYTGNJDCKLLN-UHFFFAOYSA-N- Molecular formula
- C14H18O4S
- Average molar mass
- 282.36 g/mol
- Monoisotopic mass
- 282.09258022
Names & identifiers
- Preferred name
- Dimethyl 2-phenylsulfanylhexanedioate
- IUPAC
- dimethyl 2-phenylsulfanylhexanedioate
Names & synonyms
5331-03-3dimethyl 2-(phenylsulfanyl)hexanedioatedimethyl 2-phenylsulfanylhexanedioateNSC2235DTXSID20277398NSC-22352-(PHENYLTHIO)HEXANEDIOIC ACID, DIMETHYL ESTER
Database identifiers
- CAS
5331-03-3- PubChem CID
- 220028
- DTXSID
DTXSID20277398
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 77.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 287
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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