N-[(4-chlorophenyl)carbamothioyl]naphthalene-1-carboxamide
Basic information
- CAS
163188-72-5- Standard SMILES
O=C(NC(=S)Nc1ccc(Cl)cc1)c1cccc2ccccc12- InChIKey
ZGKFZHFFVYHYLH-UHFFFAOYSA-N- Molecular formula
- C18H13ClN2OS
- Average molar mass
- 340.8 g/mol
- Monoisotopic mass
- 340.0437119
Names & identifiers
- Preferred name
- N-[(4-chlorophenyl)carbamothioyl]naphthalene-1-carboxamide
- IUPAC
- N-[(4-chlorophenyl)carbamothioyl]naphthalene-1-carboxamide
Names & synonyms
N-[(4-chlorophenyl)carbamothioyl]naphthalene-1-carboxamideSCHEMBL5443694STK141441AKOS003224583163188-72-5ST50559664N-{[(4-chlorophenyl)amino]thioxomethyl}naphthylcarboxamide
Database identifiers
- CAS
163188-72-5- PubChem CID
- 801029
- EC Number
- 149-807-0
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 73.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 437
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, P391, 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 CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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