Basic information
- CAS
537678-12-9- Standard SMILES
CCCCOc1ccc(S(=O)(=O)N2CCSC2c2ccc(C)cc2)cc1- InChIKey
SDXFZVXNXBEGCR-UHFFFAOYSA-N- Molecular formula
- C20H25NO3S2
- Average molar mass
- 391.6 g/mol
Names & identifiers
- Preferred name
- 3-[(4-Butoxyphenyl)sulfonyl]-2-(4-methylphenyl)-1,3-thiazolidine
- IUPAC
- 3-(4-butoxyphenyl)sulfonyl-2-(4-methylphenyl)-1,3-thiazolidine
- English name
- Thiazolidine, 3-[(4-butoxyphenyl)sulfonyl]-2-(4-methylphenyl)- (9CI)
- Molecular formula
- C20H25NO3S2
- Molecular weight
- 391.55
Names & synonyms
STK553157AKOS0054800783-((4-butoxyphenyl)sulfonyl)-2-(p-tolyl)thiazolidine3-[(4-butoxyphenyl)sulfonyl]-2-(4-methylphenyl)-1,3-thiazolidineThiazolidine, 3-[(4-butoxyphenyl)sulfonyl]-2-(4-methylphenyl)-Thiazolidine, 3-[(4-butoxyphenyl)sulfonyl]-2-(4-methylphenyl)- (9CI)
Database identifiers
- CAS
537678-12-9
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 80.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 518
Physicochemical properties
- Boiling point
- 556.3 · 556.3±60.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- pka
- -7.78 · -7.78±0.40(Predicted)
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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