Basic information
- CAS
6613-67-8- Standard SMILES
C=CCN1C(=O)/C(=C\c2cc(Cl)c(OCc3cccc(C)c3)c(OC)c2)SC1=S- InChIKey
AVGUGIDJMORGQR-XDHOZWIPSA-N- Molecular formula
- C22H20ClNO3S2
- Average molar mass
- 446 g/mol
- Monoisotopic mass
- 445.0573135
Names & identifiers
- Preferred name
- (5E)-5-{3-chloro-5-methoxy-4-[(3-methylbenzyl)oxy]benzylidene}-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-4-one
- IUPAC
- (5E)-5-[[3-chloro-5-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
Names & synonyms
STK0263626613-67-8(5E)-5-{3-chloro-5-methoxy-4-[(3-methylbenzyl)oxy]benzylidene}-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-4-one3-allyl-5-{3-chloro-5-methoxy-4-[(3-methylbenzyl)oxy]benzylidene}-2-thioxo-1,3-thiazolidin-4-oneDTXSID80417672AKOS005380275(5E)-5-[[3-chloro-5-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one(5E)-5-({3-CHLORO-5-METHOXY-4-[(3-METHYLPHENYL)METHOXY]PHENYL}METHYLIDENE)-3-(PROP-2-EN-1-YL)-2-SULFANYLIDENE-1,3-THIAZOLIDIN-4-ONE
Database identifiers
- CAS
6613-67-8- PubChem CID
- 5350751
- DTXSID
DTXSID80417672
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 96.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 656
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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