5-Sulfoisophthalic acid

• Catalog Number: ACM22326314-1
• Product Name: 5-Sulfoisophthalic acid
• CAS: 22326-31-4
• Category: Heterocyclic Organic Compound
• Description: Solid
• Synonyms: 5-Sulfobenzene-1,3-dicarboxylic acid; 5-Sulfo-3-benzenedicarboxylicacid
• IUPAC Name: 5-sulfobenzene-1,3-dicarboxylic acid
• Molecular Weight: 246.19
• Molecular Formula: C8H6O7S
• InChI: InChI=1S/C8H6O7S/c9-7(10)4-1-5(8(11)12)3-6(2-4)16(13,14)15/h1-3H,(H,9,10)(H,11,12)(H,13,14,15)
• InChI Key: CARJPEPCULYFFP-UHFFFAOYSA-N
• Boiling Point: 258 °C
• Melting Point: 258 °C
• Appearance: Greenish yellow powder
• Complexity: 371
• CompoundIs Canonicalized: Yes
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Deprecated CAS: 266353-10-0, 126038-71-9
• EC Number: 244-912-9
• Exact Mass: 245.98342370g/mol
• Formal Charge: 0
• Hazard Statements: C
• Heavy Atom Count: 16
• Hydrogen Bond Acceptor Count: 7
• Hydrogen Bond Donor Count: 3
• Isotope Atom Count: 0
• Monoisotopic Mass: 245.98342370g/mol
• Physical State: Solid
• Rotatable Bond Count: 3
• Topological Polar Surface Area: 137Ų
• Undefined Atom Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• UNII: 826FR8A3IP
• XLogP3: -0.3

Custom Reviews

June 16, 2023

Sorbing material

The structural materials prepared by 5-sulfoisophthalic acid have achieved high selectivity and capacity.

Custom Q&A

What is the molecular formula of 5-Sulfoisophthalic acid?

The molecular formula of 5-Sulfoisophthalic acid is C8H6O7S.

What is the molecular weight of 5-Sulfoisophthalic acid?

The molecular weight of 5-Sulfoisophthalic acid is 246.20 g/mol.

What is the IUPAC name of 5-Sulfoisophthalic acid?

The IUPAC name of 5-Sulfoisophthalic acid is 5-sulfobenzene-1,3-dicarboxylic acid.

What is the InChI of 5-Sulfoisophthalic acid?

The InChI of 5-Sulfoisophthalic acid is InChI=1S/C8H6O7S/c9-7(10)4-1-5(8(11)12)3-6(2-4)16(13,14)15/h1-3H,(H,9,10)(H,11,12)(H,13,14,15).

What is the InChIKey of 5-Sulfoisophthalic acid?

The InChIKey of 5-Sulfoisophthalic acid is CARJPEPCULYFFP-UHFFFAOYSA-N.

What is the canonical SMILES of 5-Sulfoisophthalic acid?

The canonical SMILES of 5-Sulfoisophthalic acid is C1=C(C=C(C=C1C(=O)O)S(=O)(=O)O)C(=O)O.

What is the CAS number of 5-Sulfoisophthalic acid?

The CAS number of 5-Sulfoisophthalic acid is 22326-31-4.

What is the ChEMBL ID of 5-Sulfoisophthalic acid?

The ChEMBL ID of 5-Sulfoisophthalic acid is CHEMBL165399.

What is the topological polar surface area of 5-Sulfoisophthalic acid?

The topological polar surface area of 5-Sulfoisophthalic acid is 137?2.