Basic information
- CAS
1227270-21-4- Standard SMILES
O=S(=O)(c1ccccc1)n1c(I)cc2ncccc21- InChIKey
JHCZBNBLVCAJHA-UHFFFAOYSA-N- Molecular formula
- C13H9IN2O2S
- Average molar mass
- 384.19 g/mol
Names & identifiers
- Preferred name
- 1-(Phenylsulfonyl)-2-iodo-4-azaindole
- IUPAC
- 1-(benzenesulfonyl)-2-iodopyrrolo[3,2-b]pyridine
- English name
- 1-(Phenylsulfonyl)-2-iodo-4-azaindole
- Molecular formula
- C13H9IN2O2S
- Molecular weight
- 384.19
Names & synonyms
1227270-21-41-(Phenylsulfonyl)-2-iodo-4-azaindole2-Iodo-1-(phenylsulfonyl)-1H-pyrrolo[3,2-b]pyridine1H-Pyrrolo[3,2-b]pyridine, 2-iodo-1-(phenylsulfonyl)-1-(benzenesulfonyl)-2-iodopyrrolo[3,2-b]pyridineSCHEMBL21147693
Database identifiers
- CAS
1227270-21-4
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 60.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 417
Physicochemical properties
- Boiling point
- 529.9 · 529.9±53.0 °C(Predicted)
- Density
- 1.83 · 1.83±0.1 g/cm3(Predicted)
- pka
- 3.25 · 3.25±0.30(Predicted)
Chemistry & industry
Suppliers1 total
南京凯姆铂医药科技有限公司025-66162170
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…