2-ACetamido-2,3-dihydro-1h-indene-5-sulfonyl chloride - ≥95% , CAS No.74124-92-8

CAS: 74124-92-8 Cat. No.: A590051 Molecular Weight: 273.74

GRADE & PURITY ≥95%

Synonyms

LS-11311 | XNVZUBLWWSTORI-UHFFFAOYSA-N | D80686 | EN300-155454 | 2-Acetamido-2,3-dihydro-1h-indene-5-sulfonyl chloride | 2-(Acetylamino)-2,3-dihydro-1H-indene-5-sulfonyl chloride | 2-(Acetylamino)indane-5-sulfonyl chloride | SCHEMBL1971027 | N-acetyl-5-ch

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

LS-11311 | XNVZUBLWWSTORI-UHFFFAOYSA-N | D80686 | EN300-155454 | 2-Acetamido-2, 3-dihydro-1h-indene-5-sulfonyl chloride | 2-(Acetylamino)-2, 3-dihydro-1H-indene-5-sulfonyl chloride | 2-(Acetylamino)indane-5-sulfonyl chloride | SCHEMBL1971027 | N-acetyl-5-ch

Specifications & Purity

≥95%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

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

Purity

≥95%

Names and Identifiers

• Canonical Smiles: CC(=O)NC1CC2=C(C1)C=C(C=C2)S(=O)(=O)Cl
• IUPAC Name: 2-acetamido-2,3-dihydro-1H-indene-5-sulfonyl chloride
• InChIKey: XNVZUBLWWSTORI-UHFFFAOYSA-N
• INCHI: 1S/C11H12ClNO3S/c1-7(14)13-10-4-8-2-3-11(17(12,15)16)6-9(8)5-10/h2-3,6,10H,4-5H2,1H3,(H,13,14)
• Isomeric SMILES: CC(=O)NC1CC2=C(C1)C=C(C=C2)S(=O)(=O)Cl
• Molecular Weight: 273.74
• Reaxy-Rn: 9853569
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9853569&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Indanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Indanes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Indanes
• Alternative Parents: Sulfonyls Sulfonyl chlorides Organosulfonic acids and derivatives Acetamides Secondary carboxylic acid amides Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Indane - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl chloride - Sulfonyl halide - Sulfonyl - Acetamide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Carbonyl group - Organosulfur compound - Organooxygen compound - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as indanes. These are compounds containing an indane moiety, which consists of a cyclopentane fused to a benzene 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

• Molecular Weight: 273.740 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 273.023 Da
• Monoisotopic Mass: 273.023 Da
• Topological Polar Surface Area: 71.600 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 403.000
• 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