sulfo-NHS-acetate sodium - ≥95% , CAS No.152305-87-8

CAS: 152305-87-8 Cat. No.: S333917 Molecular Weight: 259.17 EC Number: 811-388-3 PubChem CID: 127857

GRADE & PURITY ≥95%

Synonyms

Sulfosuccinimidyl acetate | C70128 | Sodium 1-acetoxy-2,5-dioxopyrrolidine-3-sulfonate | sulphosuccinimidyl acetate | 1-acetyloxy-2,5-dioxopyrrolidine-3-sulfonic acid | 3-Sulfosuccinimid-1-yl acetate | SCHEMBL1109018

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

Sulfosuccinimidyl acetate | C70128 | Sodium 1-acetoxy-2, 5-dioxopyrrolidine-3-sulfonate | sulphosuccinimidyl acetate | 1-acetyloxy-2, 5-dioxopyrrolidine-3-sulfonic acid | 3-Sulfosuccinimid-1-yl acetate | SCHEMBL1109018

Specifications & Purity

≥95%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504756983
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756983
• Canonical Smiles: CC(=O)ON1C(=O)CC(C1=O)S(=O)(=O)O
• IUPAC Name: 1-acetyloxy-2,5-dioxopyrrolidine-3-sulfonic acid
• InChIKey: MDUQWFYJHRLNRN-UHFFFAOYSA-N
• INCHI: 1S/C6H7NO7S/c1-3(8)14-7-5(9)2-4(6(7)10)15(11,12)13/h4H,2H2,1H3,(H,11,12,13)
• Isomeric SMILES: CC(=O)ON1C(=O)CC(C1=O)S(=O)(=O)O
• Alternate CAS: 221222-61-3
• PubChem CID: 127857
• Molecular Weight: 259.17

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyrrolidines
      • Subclass Pyrrolidones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyrrolidines
• Subclass: Pyrrolidones
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrolidine-2-ones
• Alternative Parents: Sulfonyls Organosulfonic acids Dicarboximides Alkanesulfonic acids Acetate salts Lactams Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: 2-pyrrolidone - Acetate salt - Alkanesulfonic acid - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Dicarboximide - Lactam - Carboxylic acid salt - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrrolidine-2-ones. These are pyrrolidines which bear a C=O group at position 2 of the pyrrolidine ring.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: Moisture Sensitive
• Molecular Weight: 237.190 g/mol
• XLogP3: -1.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 236.994 Da
• Monoisotopic Mass: 236.994 Da
• Topological Polar Surface Area: 126.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 419.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1