N-benzyl-2-[(4-chlorophenoxy)acetyl]hydrazinecarbothioamide
Basic information
- CAS
131227-86-6- Standard SMILES
O=C(COc1ccc(Cl)cc1)NNC(=S)NCc1ccccc1- InChIKey
IHQAGAOCJRUKFP-UHFFFAOYSA-N- Molecular formula
- C16H16ClN3O2S
- Average molar mass
- 349.8 g/mol
- Monoisotopic mass
- 349.0651756
Names & identifiers
- Preferred name
- N-benzyl-2-[(4-chlorophenoxy)acetyl]hydrazinecarbothioamide
- IUPAC
- 1-benzyl-3-[[2-(4-chlorophenoxy)acetyl]amino]thiourea
Names & synonyms
CHEMBL1422461MLS001222741HMS2919P07BDBM50441603AKOS000572439SMR000611258N-benzyl-2-[(4-chlorophenoxy)acetyl]hydrazinecarbothioamide
Database identifiers
- CAS
131227-86-6- PubChem CID
- 3137370
- ChEMBL
CHEMBL1422461- EC Number
- 158-696-8
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 94.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 384
Experimental & physicochemical properties
Solubility<0.2 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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