N-tert-Butyl-2-thiophenesulfonamide - ≥98% , CAS No.100342-30-1

CAS: 100342-30-1 Cat. No.: N159674 Molecular Weight: 219.32 EC Number: 632-695-7

GRADE & PURITY ≥98%

Synonyms

FT-0650432 | AKOS000383360 | N-(tert-Butyl)thiophene-2-sulphonamide | N-(1,1-Dimethylethyl)-2-thiophenesulfonamide | Z45516695 | N-tert-Butyl-2-thiophenesulfonamide | 2-Thiophenesulfonamide, N-(1,1-dimethylethyl)- | N-tert-butylthiophene-2-sulfonamide | N

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

FT-0650432 | AKOS000383360 | N-(tert-Butyl)thiophene-2-sulphonamide | N-(1, 1-Dimethylethyl)-2-thiophenesulfonamide | Z45516695 | N-tert-Butyl-2-thiophenesulfonamide | 2-Thiophenesulfonamide, N-(1, 1-dimethylethyl)- | N-tert-butylthiophene-2-sulfonamide | N

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488191448
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488191448
• Canonical Smiles: CC(C)(C)NS(=O)(=O)C1=CC=CS1
• IUPAC Name: N-tert-butylthiophene-2-sulfonamide
• InChIKey: CLKMBGGZGFULOO-UHFFFAOYSA-N
• INCHI: 1S/C8H13NO2S2/c1-8(2,3)9-13(10,11)7-5-4-6-12-7/h4-6,9H,1-3H3
• Isomeric SMILES: CC(C)(C)NS(=O)(=O)C1=CC=CS1
• Molecular Weight: 219.32
• Reaxy-Rn: 4249362
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4249362&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Organic sulfonic acids and derivatives
      • Subclass Organosulfonic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Organic sulfonic acids and derivatives
• Subclass: Organosulfonic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Organosulfonamides
• Alternative Parents: Thiophenes Heteroaromatic compounds Aminosulfonyl compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Organosulfonic acid amide - Heteroaromatic compound - Aminosulfonyl compound - Thiophene - Sulfonyl - Organoheterocyclic compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as organosulfonamides. These are compounds containing the sulfonamide functional group, an amide of sulfonic acid with the general structure R1S(=O)2N(R2)R3 (R1=alkyl, aryl; R2,R3=H, alkyl, aryl).
• 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

• Solubility: Soluble in Methanol
• Melt Point(°C): 84 °C
• Molecular Weight: 219.300 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 219.039 Da
• Monoisotopic Mass: 219.039 Da
• Topological Polar Surface Area: 82.800 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 261.000
• 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