Basic information
- Standard SMILES
CSCCC(C)NC(=O)c1c(I)cccc1C(=O)O- InChIKey
LUOGRXKTSHJUTP-UHFFFAOYSA-N- Molecular formula
- C13H16INO3S
- Average molar mass
- 393.24 g/mol
Names & identifiers
- Preferred name
- 3-Iodo-N-(1-methyl-3-methylthiopropyl)-phthalamic Acid
- IUPAC
- 3-iodo-2-(4-methylsulfanylbutan-2-ylcarbamoyl)benzoic acid
Names & synonyms
SCHEMBL2918472LUOGRXKTSHJUTP-UHFFFAOYSA-N3-Iodo-N-(1-methyl-3-methylthiopropyl)-phthalamic Acid
Database identifiers
- PubChem CID
- 18178020
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 91.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 327
Related reactions
2 records
Compound notes
Loading…