2,2-dimethyl-N-[2,2,2-trichloro-1-(naphthalen-1-ylcarbamothioylamino)ethyl]propanamide
Basic information
- CAS
321686-53-7- Standard SMILES
CC(C)(C)C(=O)NC(NC(=S)Nc1cccc2ccccc12)C(Cl)(Cl)Cl- InChIKey
CAGWVVRAPGNADQ-UHFFFAOYSA-N- Molecular formula
- C18H20Cl3N3OS
- Average molar mass
- 432.8 g/mol
- Monoisotopic mass
- 431.039267
Names & identifiers
- Preferred name
- 2,2-dimethyl-N-[2,2,2-trichloro-1-(naphthalen-1-ylcarbamothioylamino)ethyl]propanamide
- IUPAC
- 2,2-dimethyl-N-[2,2,2-trichloro-1-(naphthalen-1-ylcarbamothioylamino)ethyl]propanamide
- English name
- 2,2-dimethyl-N-[2,2,2-trichloro-1-(naphthalen-1-ylcarbamothioylamino)ethyl]propanamide
- Molecular formula
- C18H20Cl3N3OS
- Molecular weight
- 432.79
Names & synonyms
2,2-dimethyl-N-(2,2,2-trichloro-1-{[(1-naphthylamino)carbonothioyl]amino}ethyl)propanamideCBDivE_002914STK862097AKOS001603415AKOS0162885452,2-dimethyl-N-[2,2,2-trichloro-1-(naphthalen-1-ylcarbamothioylamino)ethyl]propanamide2,2-dimethyl-N-(2,2,2-trichloro-1-{[(1-naphthylamino)carbothioyl]amino}ethyl)propanamide2,2-dimethyl-N-{2,2,2-trichloro-1-[(naphthalen-1-ylcarbamothioyl)amino]ethyl}propanamide321686-53-72,2-DI-ME-N-(2,2,2-TRI-CL-1-(((1-NAPHTHYLAMINO)CARBOTHIOYL)AMINO)ET)PROPANAMIDEPropanamide, 2,2-dimethyl-N-[2,2,2-trichloro-1-[[(1-naphthalenylamino)thioxomethyl]amino]ethyl]-
Database identifiers
- CAS
321686-53-7- PubChem CID
- 2829941
- EC Number
- 169-306-0
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 85.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 519
Physicochemical properties
- Density
- 1.383 · 1.383±0.06 g/cm3(Predicted)
- pka
- 11.14 · 11.14±0.70(Predicted)
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
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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