N-(1-((Anilinocarbothioyl)amino)-2,2,2-trichloroethyl)-3,4,5-trimethoxybenzamide
Basic information
- CAS
303062-48-8- Standard SMILES
COc1cc(C(=O)NC(NC(=S)Nc2ccccc2)C(Cl)(Cl)Cl)cc(OC)c1OC- InChIKey
WKEJVIMYICDTEO-UHFFFAOYSA-N- Molecular formula
- C19H20Cl3N3O4S
- Average molar mass
- 492.8 g/mol
- Monoisotopic mass
- 491.02401
Names & identifiers
- Preferred name
- N-(1-((Anilinocarbothioyl)amino)-2,2,2-trichloroethyl)-3,4,5-trimethoxybenzamide
- IUPAC
- 3,4,5-trimethoxy-N-[2,2,2-trichloro-1-(phenylcarbamothioylamino)ethyl]benzamide
- English name
- 3,4,5-trimethoxy-N-{2,2,2-trichloro-1-[(phenylcarbamothioyl)amino]ethyl}benzamide
- Molecular formula
- C19H20Cl3N3O4S
- Molecular weight
- 492.8038
Names & synonyms
303062-48-8N-(1-((Anilinocarbothioyl)amino)-2,2,2-trichloroethyl)-3,4,5-trimethoxybenzamideN-{1-[(anilinocarbothioyl)amino]-2,2,2-trichloroethyl}-3,4,5-trimethoxybenzamideRefChem:823439661-152-7N-{1-[(anilinocarbonothioyl)amino]-2,2,2-trichloroethyl}-3,4,5-trimethoxybenzamideCBMicro_046773AKOS002686719BIM-0046727.P0013,4,5-trimethoxy-N-{2,2,2-trichloro-1-[(phenylcarbamothioyl)amino]ethyl}benzamide
Database identifiers
- CAS
303062-48-8- PubChem CID
- 2887315
- EC Number
- 661-152-7
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 562
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 410 · H410-H319-H315-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P273-P391-P501
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, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H410-H319-H315-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P273-P391-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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