Basic information
- CAS
532950-42-8- Standard SMILES
O=C(NC(=S)Nc1ccc(Br)cc1C(=O)O)c1cc(I)ccc1I- InChIKey
ZVVVOXDEQSLDIR-UHFFFAOYSA-N- Molecular formula
- C15H9BrI2N2O3S
- Average molar mass
- 631 g/mol
- Monoisotopic mass
- 629.76067
Names & identifiers
- Preferred name
- 5-Bromo-2-[[[(2,5-diiodobenzoyl)amino]thioxomethyl]amino]-benzoic acid
- IUPAC
- 5-bromo-2-[(2,5-diiodobenzoyl)carbamothioylamino]benzoic acid
- English name
- 5-BROMO-2-[[[(2,5-DIIODOBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
- Molecular formula
- C15H9BrI2N2O3S
- Molecular weight
- 631.02
Names & synonyms
AKOS000293031532950-42-8DB-3172725-Bromo-2-[[[(2,5-diiodobenzoyl)amino]thioxomethyl ]amino]-benzoic acid5-BROMO-2-[[[(2,5-DIIODOBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACIDBENZOIC ACID, 5-BROMO-2-[[[(2,5-DIIODOBENZOYL)AMINO]THIOXOMETHYL]AMINO]-
Database identifiers
- CAS
532950-42-8- PubChem CID
- 4513959
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 511
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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