Basic information
- CAS
314749-78-5- Standard SMILES
CCCCCC(=O)NC(NC(=S)Nc1ccc(Cl)c(Cl)c1)C(Cl)(Cl)Cl- InChIKey
JEANYBVSWQLFBP-UHFFFAOYSA-N- Molecular formula
- C15H18Cl5N3OS
- Average molar mass
- 465.6 g/mol
- Monoisotopic mass
- 462.961322
Names & identifiers
- Preferred name
- Hexanoic acid (2,2,2-trichloro-1-(3-(3,4-dichloro-PH)-thioureido)-ethyl)-amide
- IUPAC
- N-[2,2,2-trichloro-1-[(3,4-dichlorophenyl)carbamothioylamino]ethyl]hexanamide
Names & synonyms
AKOS002686916HEXANOIC ACID (2,2,2-TRICHLORO-1-(3-(3,4-DICHLORO-PH)-THIOUREIDO)-ETHYL)-AMIDE
Database identifiers
- CAS
314749-78-5- PubChem CID
- 5084745
- EC Number
- 160-127-3
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 85.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 449
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…