N-tert-Butylbenzenesulfenamide - ≥96%(GC) , CAS No.19117-31-8

CAS: 19117-31-8 Cat. No.: N159338 Molecular Weight: 181.3

GRADE & PURITY ≥96%(GC)

Synonyms

2-methyl-N-phenylsulfanylpropan-2-amine | B2240 | 2,2-Difluoroethylp-toluenesulfonate | N-tert-Butylbenzenesulfenamide, 97% | A880384 | N-tert-Butylphenylsulfenamide | Benzenesulfenamide,N-(1,1-dimethylethyl)- | 2-Methyl-N-(phenylthio)propan-2-amine | N-(

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

Reactant for:

· Anti-SN2′ Mitsunobu reaction with chiral hydroxy-alpha-alkenylsilanes to give vinylsilanes

· Anodic oxidation reactions

Specifications

Synonyms

2-methyl-N-phenylsulfanylpropan-2-amine | B2240 | 2, 2-Difluoroethylp-toluenesulfonate | N-tert-Butylbenzenesulfenamide, 97% | A880384 | N-tert-Butylphenylsulfenamide | Benzenesulfenamide, N-(1, 1-dimethylethyl)- | 2-Methyl-N-(phenylthio)propan-2-amine | N-(

Specifications & Purity

≥96%(GC)

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

≥96%(GC)

Names and Identifiers

• Pubchem Sid: 504766130
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766130
• Canonical Smiles: CC(C)(C)NSC1=CC=CC=C1
• IUPAC Name: 2-methyl-N-phenylsulfanylpropan-2-amine
• InChIKey: AAQBFMPKCDTAJD-UHFFFAOYSA-N
• INCHI: 1S/C10H15NS/c1-10(2,3)11-12-9-7-5-4-6-8-9/h4-8,11H,1-3H3
• Isomeric SMILES: CC(C)(C)NSC1=CC=CC=C1
• WGK Germany: 3
• Molecular Weight: 181.3
• Reaxy-Rn: 1932309
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1932309&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Sulfenyl compounds Organosulfenic acid amides Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Sulfenyl compound - Organosulfenic acid amide - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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;Heat sensitive
• Refractive Index: 1.55
• Flash Point(°F): 204.8 °F
• Flash Point(°C): 96 °C
• Boil Point(°C): 57-60 °C/0.3 mmHg
• Molecular Weight: 181.300 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 181.093 Da
• Monoisotopic Mass: 181.093 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 122.000
• 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