2-Phenoxyacetic acid 2-(((4-chlorophenyl)amino)thioxomethyl)hydrazide
Basic information
- CAS
51291-28-2- Standard SMILES
O=C(COc1ccccc1)NNC(=S)Nc1ccc(Cl)cc1- InChIKey
MPXMFQZQCLTVIC-UHFFFAOYSA-N- Molecular formula
- C15H14ClN3O2S
- Average molar mass
- 335.8 g/mol
- Monoisotopic mass
- 335.0495256
Names & identifiers
- Preferred name
- 2-Phenoxyacetic acid 2-(((4-chlorophenyl)amino)thioxomethyl)hydrazide
- IUPAC
- 1-(4-chlorophenyl)-3-[(2-phenoxyacetyl)amino]thiourea
Names & synonyms
51291-28-22-Phenoxyacetic acid 2-[[(4-chlorophenyl)amino]thioxomethyl]hydrazide2-Phenoxyacetic acid 2-(((4-chlorophenyl)amino)thioxomethyl)hydrazideRefChem:2651041-(Phenoxyacetyl)-4-(4-chlorophenyl)thiosemicarbazideDTXSID001156254N-(4-Chlorophenyl)-2-(phenoxyacetyl)hydrazine-1-carbothioamide
Database identifiers
- CAS
51291-28-2- PubChem CID
- 11099747
- DTXSID
DTXSID001156254- Nikkaji
- J1.594.265G
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 94.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 370
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Compound notes
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