N-Succinimidyl-S-acetylthiopropionate - ≥95% , CAS No.84271-78-3

CAS: 84271-78-3 Cat. No.: N134552 Molecular Weight: 245.25 Beilstein Registry Number: 5562810

GRADE & PURITY ≥95%

Synonyms

N-Succinimidyl 3-(acetylthio)propionate,SATP

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

N-Succinimidyl 3-(acetylthio)propionate, SATP

Specifications & Purity

≥95%

Storage

Store at -20°C, Argon charged

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: 504762848
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762848
• Canonical Smiles: CC(=O)SCCC(=O)ON1C(=O)CCC1=O
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 3-acetylsulfanylpropanoate
• InChIKey: ZRTJVRDXVSDKPX-UHFFFAOYSA-N
• INCHI: 1S/C9H11NO5S/c1-6(11)16-5-4-9(14)15-10-7(12)2-3-8(10)13/h2-5H2,1H3
• Isomeric SMILES: CC(=O)SCCC(=O)ON1C(=O)CCC1=O
• WGK Germany: 3
• Molecular Weight: 245.25
• Beilstein: 5562810
• Reaxy-Rn: 5562810
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5562810&ln=

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: Dicarboximides Thioesters Lactams Carbothioic S-esters Sulfenyl compounds Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: 2-pyrrolidone - Dicarboximide - Lactam - Thiocarboxylic acid ester - Carbothioic s-ester - Carboxylic acid derivative - Sulfenyl compound - Thiocarboxylic acid or derivatives - Monocarboxylic acid or derivatives - Azacycle - Carbonyl group - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - 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: Air Sensitive,Moisture Sensitive,Heat Sensitive
• Melt Point(°C): 66 °C
• Molecular Weight: 245.250 g/mol
• XLogP3: -0.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 245.036 Da
• Monoisotopic Mass: 245.036 Da
• Topological Polar Surface Area: 106.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 325.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1