N-(2,2-Dichloro-1-(((1-naphthylamino)carbothioyl)amino)ethyl)benzamide
Basic information
- CAS
303063-28-7- Standard SMILES
O=C(NC(NC(=S)Nc1cccc2ccccc12)C(Cl)Cl)c1ccccc1- InChIKey
DJOKNGKNXKLPIF-UHFFFAOYSA-N- Molecular formula
- C20H17Cl2N3OS
- Average molar mass
- 418.3 g/mol
- Monoisotopic mass
- 417.0469387
Names & identifiers
- Preferred name
- N-(2,2-Dichloro-1-(((1-naphthylamino)carbothioyl)amino)ethyl)benzamide
- IUPAC
- N-[2,2-dichloro-1-(naphthalen-1-ylcarbamothioylamino)ethyl]benzamide
- English name
- N-(2,2-dichloro-1-{[(naphthalen-1-yl)carbamothioyl]amino}ethyl)benzamide
- Molecular formula
- C20H17Cl2N3OS
- Molecular weight
- 418.33948
Names & synonyms
N-(2,2-Dichloro-1-(((1-naphthylamino)carbothioyl)amino)ethyl)benzamideN-(2,2-dichloro-1-{[(1-naphthylamino)carbothioyl]amino}ethyl)benzamideRefChem:823759303063-28-7656-949-1AKOS024424075N-(2,2-dichloro-1-{[(naphthalen-1-yl)carbamothioyl]amino}ethyl)benzamide
Database identifiers
- CAS
303063-28-7- PubChem CID
- 4089073
- EC Number
- 656-949-1
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 85.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 513
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 315 · H315-H410-H335-H319
- 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
- H315-H410-H335-H319
- 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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