3,4,5-Trimethoxy-N-(2,2,2-trichloro-1-{[(2,5-dimethylanilino)carbothioyl]amino}ethyl)benzamide
Basic information
- CAS
303063-19-6- Standard SMILES
COc1cc(C(=O)NC(NC(=S)Nc2cc(C)ccc2C)C(Cl)(Cl)Cl)cc(OC)c1OC- InChIKey
ZXVKPVLNWSZYPW-UHFFFAOYSA-N- Molecular formula
- C21H24Cl3N3O4S
- Average molar mass
- 520.9 g/mol
- Monoisotopic mass
- 519.055311
Names & identifiers
- Preferred name
- 3,4,5-Trimethoxy-N-(2,2,2-trichloro-1-{[(2,5-dimethylanilino)carbothioyl]amino}ethyl)benzamide
- IUPAC
- 3,4,5-trimethoxy-N-[2,2,2-trichloro-1-[(2,5-dimethylphenyl)carbamothioylamino]ethyl]benzamide
Names & synonyms
3,4,5-TRIMETHOXY-N-(2,2,2-TRICHLORO-1-{[(2,5-DIMETHYLANILINO)CARBOTHIOYL]AMINO}ETHYL)BENZAMIDE3,4,5-TRIMETHOXY-N-(2,2,2-TRICHLORO-1-(((2,5-DIMETHYLANILINO)CARBOTHIOYL)AMINO)ETHYL)BENZAMIDERefChem:485745303063-19-6656-935-5AKOS002686753
Database identifiers
- CAS
303063-19-6- PubChem CID
- 4186367
- EC Number
- 656-935-5
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 626
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…