Basic information
- CAS
319429-63-5- Standard SMILES
O=C(NC(NC(=S)Nc1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl)c1cccc(I)c1- InChIKey
PSULLBUINZOTCS-UHFFFAOYSA-N- Molecular formula
- C16H12Cl3IN4O3S
- Average molar mass
- 573.6 g/mol
- Monoisotopic mass
- 571.87404
Names & identifiers
- Preferred name
- 3-Iodo-N-(2,2,2-trichloro-1-(3-(3-nitro-phenyl)-thioureido)-ethyl)-benzamide
- IUPAC
- 3-iodo-N-[2,2,2-trichloro-1-[(3-nitrophenyl)carbamothioylamino]ethyl]benzamide
- English name
- 3-Iodo-N-(2,2,2-trichloro-1-(3-(3-nitro-phenyl)-thioureido)-ethyl)-benzamide
- Molecular formula
- C16H12Cl3IN4O3S
- Molecular weight
- 573.61995
Names & synonyms
AKOS0244191393-IODO-N-(2,2,2-TRICHLORO-1-(3-(3-NITRO-PHENYL)-THIOUREIDO)-ETHYL)-BENZAMIDE
Database identifiers
- CAS
319429-63-5- PubChem CID
- 4100282
- EC Number
- 148-133-4
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 590
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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