Basic information
- CAS
866143-74-0- Standard SMILES
O=C1C(=Cc2ccc(Cl)cc2Cl)CSc2ccc(Cl)cc21- InChIKey
LVWLCGIMPXUIMY-UHFFFAOYSA-N- Molecular formula
- C16H9Cl3OS
- Average molar mass
- 355.7 g/mol
- Monoisotopic mass
- 353.943969
Names & identifiers
- Preferred name
- 6-chloro-3-[(Z)-(2,4-dichlorophenyl)methylidene]-2H-thiochromen-4-one
- IUPAC
- 6-chloro-3-[(2,4-dichlorophenyl)methylidene]thiochromen-4-one
- English name
- 6-chloro-3-[(Z)-(2,4-dichlorophenyl)methylidene]-2H-thiochromen-4-one
- Molecular formula
- C16H9Cl3OS
- Molecular weight
- 355.67
Names & synonyms
6-chloro-3-[(2,4-dichlorophenyl)methylidene]thiochromen-4-one6-chloro-3-[(Z)-(2,4-dichlorophenyl)methylidene]-2H-thiochromen-4-oneDTXSID101134378AKOS0302456006-Chloro-3-[(2,4-dichlorophenyl)methylene]-2,3-dihydro-4H-1-benzothiopyran-4-one6-Chloro-3-[(2,4-dichlorophenyl)methylidene]-2,3-dihydro-4H-1-benzothiopyran-4-one4H-1-Benzothiopyran-4-one, 6-chloro-3-[(2,4-dichlorophenyl)methylene]-2,3-dihydro-
Database identifiers
- CAS
866143-74-0- PubChem CID
- 3792575
- DTXSID
DTXSID101134378
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 439
Physicochemical properties
- Boiling point
- 527.8 · 527.8±50.0 °C(Predicted)
- Density
- 1.507 · 1.507±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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