(R)-(+)-2-Methyl-2-propanesulfinamide solution - 1M in THF, contains BHT as inhibitor , CAS No.196929-78-9

CAS: 196929-78-9 Cat. No.: R466074 Molecular Weight: 121.2 EC Number: 676-338-3

GRADE & PURITY 1M in THF, contains BHT as inhibitor

Synonyms

SCHEMBL9096 | (R)-(+)-2-methyl-2-propane sulfinamide | AKOS005259723 | (R)-(+)-tert-Butyl sulfinamide | (R)-(+)-2-methylpropane-2-sulfinamide | (R)-2-methylpropane-2-sulfinic acid amide | N-DESFURANOYL PRAZOSIN | (R)-(+)-t-Butylsulfinamide | (r)-tert-buty

Storage

Room temperature

Specifications

Synonyms

SCHEMBL9096 | (R)-(+)-2-methyl-2-propane sulfinamide | AKOS005259723 | (R)-(+)-tert-Butyl sulfinamide | (R)-(+)-2-methylpropane-2-sulfinamide | (R)-2-methylpropane-2-sulfinic acid amide | N-DESFURANOYL PRAZOSIN | (R)-(+)-t-Butylsulfinamide | (r)-tert-buty

Specifications & Purity

1M in THF, contains BHT as inhibitor

Storage

Room temperature

Names and Identifiers

• Canonical Smiles: CC(C)(C)S(=O)N
• IUPAC Name: (R)-2-methylpropane-2-sulfinamide
• InChIKey: CESUXLKAADQNTB-SSDOTTSWSA-N
• INCHI: 1S/C4H11NOS/c1-4(2,3)7(5)6/h5H2,1-3H3/t7-/m1/s1
• Isomeric SMILES: CC(C)(C)[S@@](=O)N
• WGK Germany: 3
• Molecular Weight: 121.2
• Reaxy-Rn: 4363803
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4363803&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Sulfinic acids and derivatives
      • Subclass Sulfinic acid amides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Sulfinic acids and derivatives
• Subclass: Sulfinic acid amides
• Intermediate Tree Nodes: Not available
• Direct Parent: Sulfinic acid amides
• Alternative Parents: Aminosulfinyl compounds Organic oxides Organic nitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Aminosulfinyl compound - Sulfinic acid amide - Sulfinyl compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as sulfinic acid amides. These are compounds derived from a sulfinic acid, RS(=O)OH (R not H), by replacement of -OH by -NR2.
• 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

• Specific Rotation[α]: 4 ° (C=1, CHCl3)
• Melt Point(°C): 103-107°C
• Molecular Weight: 121.200 g/mol
• XLogP3: 0.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 121.056 Da
• Monoisotopic Mass: 121.056 Da
• Topological Polar Surface Area: 62.300 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 84.200
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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