Basic information
- CAS
304661-33-4- Standard SMILES
CCCCC(=O)NC(NC(=S)Nc1cccc(C)c1)C(Cl)(Cl)Cl- InChIKey
AXHRXNJDXPDXBE-UHFFFAOYSA-N- Molecular formula
- C15H20Cl3N3OS
- Average molar mass
- 396.8 g/mol
- Monoisotopic mass
- 395.039267
Names & identifiers
- Preferred name
- Pentanoic acid (2,2,2-trichloro-1-(3-M-tolyl-thioureido)-ethyl)-amide
- IUPAC
- N-[2,2,2-trichloro-1-[(3-methylphenyl)carbamothioylamino]ethyl]pentanamide
- English name
- Pentanoic acid (2,2,2-trichloro-1-(3-m-tolyl-thioureido)-ethyl)-amide
- Molecular weight
- 0
Names & synonyms
AKOS002686337PENTANOIC ACID (2,2,2-TRICHLORO-1-(3-M-TOLYL-THIOUREIDO)-ETHYL)-AMIDE
Database identifiers
- CAS
304661-33-4- PubChem CID
- 3822014
- EC Number
- 153-103-9
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 85.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 404
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMA ALDRICH IRELAND LTD[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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