n-(2,4-Dichlorobenzoyl)-n'-(2-pyridinylmethyl)thiourea
Basic information
- CAS
324050-16-0- Standard SMILES
O=C(NC(=S)NCc1ccccn1)c1ccc(Cl)cc1Cl- InChIKey
LWHAQKKCNSMPOS-UHFFFAOYSA-N- Molecular formula
- C14H11Cl2N3OS
- Average molar mass
- 340.2 g/mol
- Monoisotopic mass
- 338.9999885
Names & identifiers
- Preferred name
- n-(2,4-Dichlorobenzoyl)-n'-(2-pyridinylmethyl)thiourea
- IUPAC
- 2,4-dichloro-N-(pyridin-2-ylmethylcarbamothioyl)benzamide
Names & synonyms
SCHEMBL5456673AKOS003615477n-(2,4-dichlorobenzoyl)-n'-(2-pyridinylmethyl)thiourea
Database identifiers
- CAS
324050-16-0- PubChem CID
- 4452335
- EC Number
- 122-963-7
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 86.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 383
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Compound notes
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