N-(1-((Anilinocarbothioyl)amino)-2,2,2-trichloroethyl)-3,3-dimethylbutanamide
Basic information
- CAS
303105-11-5- Standard SMILES
CC(C)(C)CC(=O)NC(NC(=S)Nc1ccccc1)C(Cl)(Cl)Cl- InChIKey
QJGBHFXROTWDSW-UHFFFAOYSA-N- Molecular formula
- C15H20Cl3N3OS
- Average molar mass
- 396.8 g/mol
- Monoisotopic mass
- 395.039267
Names & identifiers
- Preferred name
- N-(1-((Anilinocarbothioyl)amino)-2,2,2-trichloroethyl)-3,3-dimethylbutanamide
- IUPAC
- 3,3-dimethyl-N-[2,2,2-trichloro-1-(phenylcarbamothioylamino)ethyl]butanamide
- English name
- 3,3-dimethyl-N-{2,2,2-trichloro-1-[(phenylcarbamothioyl)amino]ethyl}butanamide
- Molecular formula
- C15H20Cl3N3OS
- Molecular weight
- 396.7628
Names & synonyms
N-(1-((Anilinocarbothioyl)amino)-2,2,2-trichloroethyl)-3,3-dimethylbutanamideN-{1-[(anilinocarbothioyl)amino]-2,2,2-trichloroethyl}-3,3-dimethylbutanamideRefChem:823438303105-11-5652-335-2AKOS0244241913,3-dimethyl-N-{2,2,2-trichloro-1-[(phenylcarbamothioyl)amino]ethyl}butanamide
Database identifiers
- CAS
303105-11-5- PubChem CID
- 4384615
- EC Number
- 652-335-2
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 85.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 415
Physicochemical properties
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 413 · H413-H301-H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P310-P321-P330-P405-P501-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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 CategoriesAcute Tox. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H413-H301-H315-H319-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P302+P352-P321-P332+P313-P362
Suppliers
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Related reactions
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Compound notes
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