3-(4-((3,4-Dichlorobenzyl)thio)anilino)-1-(4-methoxyphenyl)-1-propanone
Basic information
- CAS
763126-14-3- Standard SMILES
COc1ccc(C(=O)CCNc2ccc(SCc3ccc(Cl)c(Cl)c3)cc2)cc1- InChIKey
GBGQGEWGGNORNL-UHFFFAOYSA-N- Molecular formula
- C23H21Cl2NO2S
- Average molar mass
- 446.4 g/mol
- Monoisotopic mass
- 445.0670055
Names & identifiers
- Preferred name
- 3-(4-((3,4-Dichlorobenzyl)thio)anilino)-1-(4-methoxyphenyl)-1-propanone
- IUPAC
- 3-[4-[(3,4-dichlorophenyl)methylsulfanyl]anilino]-1-(4-methoxyphenyl)propan-1-one
- English name
- 3-(4-[(3,4-Dichlorobenzyl)sulfanyl]anilino)-1-(4-methoxyphenyl)-1-propanone
- Molecular formula
- C23H21Cl2NO2S
- Molecular weight
- 446.39
Names & synonyms
763126-14-3RefChem:4923333-(4-((3,4-Dichlorobenzyl)thio)anilino)-1-(4-methoxyphenyl)-1-propanone645-067-23-{4-[(3,4-dichlorobenzyl)sulfanyl]anilino}-1-(4-methoxyphenyl)-1-propanone3-((4-((3,4-Dichlorobenzyl)thio)phenyl)amino)-1-(4-methoxyphenyl)propan-1-one3-[4-[(3,4-dichlorophenyl)methylsulfanyl]anilino]-1-(4-methoxyphenyl)propan-1-oneRQB89993AKOS005108839JS-29553-[(4-{[(3,4-dichlorophenyl)methyl]sulfanyl}phenyl)amino]-1-(4-methoxyphenyl)propan-1-oneSALOR-INT L447293-1EA
Show more names
3-(4-[(3,4-Dichlorobenzyl)sulfanyl]anilino)-1-(4-methoxyphenyl)-1-propanone
Database identifiers
- CAS
763126-14-3- PubChem CID
- 4989296
- EC Number
- 645-067-2
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 493
Physicochemical properties
- Hazard statements
- 413 · H413
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Chronic 4 (100%)
Safety data
- Hazard statements
- H413
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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