3-(4-Butylphenyl)-5-(2-chloro-3-phenyl-2-propen-1-ylidene)-2-thioxo-4-thiazolidinone
Basic information
- CAS
881823-94-5- Standard SMILES
CCCCc1ccc(N2C(=O)C(=CC(Cl)=Cc3ccccc3)SC2=S)cc1- InChIKey
QVUGEFMGYYTFOZ-UHFFFAOYSA-N- Molecular formula
- C22H20ClNOS2
- Average molar mass
- 414 g/mol
- Monoisotopic mass
- 413.0674843
Names & identifiers
- Preferred name
- 3-(4-Butylphenyl)-5-(2-chloro-3-phenyl-2-propen-1-ylidene)-2-thioxo-4-thiazolidinone
- IUPAC
- 3-(4-butylphenyl)-5-(2-chloro-3-phenylprop-2-enylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
Names & synonyms
DTXSID3011288063-(4-Butylphenyl)-5-(2-chloro-3-phenyl-2-propen-1-ylidene)-2-thioxo-4-thiazolidinone881823-94-53-(4-Butylphenyl)-5-(2-chloro-3-phenylprop-2-en-1-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
Database identifiers
- CAS
881823-94-5- PubChem CID
- 4515232
- DTXSID
DTXSID301128806
Properties
Computed structural properties
- XLogP
- 7.5
- Topological polar surface area
- 77.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 601
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Compound notes
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