N-(1-((Anilinocarbothioyl)amino)-2,2-dichloroethyl)-4-methylbenzamide
Basic information
- CAS
131695-12-0- Standard SMILES
Cc1ccc(C(=O)NC(NC(=S)Nc2ccccc2)C(Cl)Cl)cc1- InChIKey
NTEJZZHZFKDZRR-UHFFFAOYSA-N- Molecular formula
- C17H17Cl2N3OS
- Average molar mass
- 382.3 g/mol
- Monoisotopic mass
- 381.0469387
Names & identifiers
- Preferred name
- N-(1-((Anilinocarbothioyl)amino)-2,2-dichloroethyl)-4-methylbenzamide
- IUPAC
- N-[2,2-dichloro-1-(phenylcarbamothioylamino)ethyl]-4-methylbenzamide
- English name
- N-(1-((Anilinocarbothioyl)amino)-2,2-dichloroethyl)-4-methylbenzamide
- Molecular formula
- C17H17Cl2N3OS
- Molecular weight
- 382.31
Names & synonyms
N-(1-((Anilinocarbothioyl)amino)-2,2-dichloroethyl)-4-methylbenzamideN-{1-[(anilinocarbothioyl)amino]-2,2-dichloroethyl}-4-methylbenzamideRefChem:823443131695-12-0656-938-1AKOS002700574Benzamide, N-[2,2-dichloro-1-[[(phenylamino)thioxomethyl]amino]ethyl]-4-methyl-
Database identifiers
- CAS
131695-12-0- PubChem CID
- 4130047
- EC Number
- 656-938-1
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 85.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 422
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H315-H410
- Precautionary statements
- 273 · P273-P391-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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
- H335-H319-H315-H410
- Precautionary statements
- P273-P391-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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