Basic information
- CAS
4645-59-4- Standard SMILES
CCSC(SCC)C(OCc1ccccc1)C(OCc1ccccc1)C(COCc1ccccc1)OC(=O)c1ccccc1- InChIKey
YXKICTUHJIPGGK-UHFFFAOYSA-N- Molecular formula
- C37H42O5S2
- Average molar mass
- 630.9 g/mol
- Monoisotopic mass
- 630.24736678
Names & identifiers
- Preferred name
- [5,5-Bis(ethylsulfanyl)-1,3,4-tris(phenylmethoxy)pentan-2-yl] benzoate
- IUPAC
- [5,5-bis(ethylsulfanyl)-1,3,4-tris(phenylmethoxy)pentan-2-yl] benzoate
Names & synonyms
NSC81027NSC-810274645-59-4
Database identifiers
- CAS
4645-59-4- PubChem CID
- 255458
Properties
Computed structural properties
- XLogP
- 8.2
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 20
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 738
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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