Basic information
- CAS
302913-85-5- Standard SMILES
CCCCCCCCCCCCCCCC(=O)NC(NC(=S)Nc1ccc(C)cc1C)C(Cl)(Cl)Cl- InChIKey
YQSVNYJJXLEZBP-UHFFFAOYSA-N- Molecular formula
- C27H44Cl3N3OS
- Average molar mass
- 565.1 g/mol
- Monoisotopic mass
- 563.227067
Names & identifiers
- Preferred name
- N-(2,2,2-Trichloro-1-(((2,4-dimethylanilino)carbothioyl)amino)ET)hexadecanamide
- IUPAC
- N-[2,2,2-trichloro-1-[(2,4-dimethylphenyl)carbamothioylamino]ethyl]hexadecanamide
Names & synonyms
N-(2,2,2-TRICHLORO-1-(((2,4-DIMETHYLANILINO)CARBOTHIOYL)AMINO)ET)HEXADECANAMIDERefChem:823702302913-85-5658-452-5AKOS024423844
Database identifiers
- CAS
302913-85-5- PubChem CID
- 5000610
- EC Number
- 658-452-5
Properties
Computed structural properties
- XLogP
- 10.9
- Topological polar surface area
- 85.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 17
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 589
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, 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 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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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