4-Hydroxy-3,5-diiodobenzenesulfonic acid
Basic information
- CAS
554-71-2- Standard SMILES
O=S(=O)(O)c1cc(I)c(O)c(I)c1- InChIKey
WUFWNWSUSBGBSH-UHFFFAOYSA-N- Molecular formula
- C6H4I2O4S
- Average molar mass
- 425.97 g/mol
- Monoisotopic mass
- 425.79197
Overview
Sozoiodolic acid is an organosulfur compound and a sulfonic acid derivative.
Names & identifiers
- Preferred name
- 4-Hydroxy-3,5-diiodobenzenesulfonic acid
- IUPAC
- 4-hydroxy-3,5-diiodobenzenesulfonic acid
- English name
- 4-hydroxy-3,5-diiodobenzenesulphonic acid
- Molecular formula
- C6H4I2O4S
- Molecular weight
- 425.97
Names & synonyms
Sozoiodolic acid4-Hydroxy-3,5-diiodobenzenesulfonic acid554-71-2PTH3749NIRDTXSID40203952RefChem:184514DTXCID70126443209-069-3DIJOZOLoptojodronozolsozojodol
Show more names
Benzenesulfonic acid, 4-hydroxy-3,5-diiodo-
Acidum sozojodolicumUNII-PTH3749NIR2,6-Diiodphenol-4-sulfonsaeureEINECS 209-069-3JODOZOL3,5-Dijod-4-hydroxybenzolsulfonsaeure4-Hydroxy-3,5-diiodobenzenesulphonic acid4-hydroxy-3,5-diiodobenzene-1-sulfonic acid
Database identifiers
- CAS
554-71-2- PubChem CID
- 68193
- DTXSID
DTXSID40203952- ChEBI
CHEBI:135689- UNII
- PTH3749NIR
- EC Number
- 209-069-3
- Nikkaji
- J6.463G
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 83 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 261
Physicochemical properties
- Density
- 2.752 · 2.752±0.06 g/cm3(Predicted)
- pka
- -0.77 · -0.77±0.50(Predicted)
- FDA UNII
- 3749 NIR · PTH3749NIR
- Comptox DTXSID
- 40203952 · DTXSID40203952
- HS Code
- 2908999090 · 2908999090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2908999090
Chemistry & industry
Additional notes
DefinitionChEBI: Sozoiodolic acid is a sulfonic acid derivative and an organosulfur compound.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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