Basic information
- CAS
93354-01-9- Standard SMILES
S=C(N/N=C/c1ccc(Cl)cc1Cl)Nc1ccccc1- InChIKey
AURACNYPNVELNE-RQZCQDPDSA-N- Molecular formula
- C14H11Cl2N3S
- Average molar mass
- 324.2 g/mol
- Monoisotopic mass
- 323.0050739
Names & identifiers
- Preferred name
- 2,4-Dichlorobenzaldehyde N-phenylthiosemicarbazone
- IUPAC
- 1-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-phenylthiourea
Names & synonyms
2,4-dichlorobenzaldehyde N-phenylthiosemicarbazone93354-01-9RefChem:443440668-750-7CHEMBL2518971-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-phenylthioureaAKOS002348596AKOS002351112ST501899852,4-dichlorobenzaldehyde 4-phenyl-3-thiosemicarbazoneF3148-1360F3284-5402
Show more names
1-[(E)-(2,4-dichlorophenyl)methyleneamino]-3-phenyl-thiourea(E)-2-(2,4-dichlorobenzylidene)-N-phenylhydrazinecarbothioamide(1Z,N'E)-N'-(2,4-dichlorobenzylidene)-N-phenylcarbamohydrazonothioic acid{[(1E)-2-(2,4-dichlorophenyl)-1-azavinyl]amino}(phenylamino)methane-1-thione
Database identifiers
- CAS
93354-01-9- PubChem CID
- 6863264
- ChEMBL
CHEMBL251897- EC Number
- 668-750-7
- Nikkaji
- J3.607.626G
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 68.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 345
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]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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