N-[Bis(methylthio)methylene]-p-toluenesulfonamide - ≥95%(N) , CAS No.2651-15-2

CAS: 2651-15-2 Cat. No.: N159385 Peso molecular: 275.4 Número EC: 866-941-1

GRADE & PURITY ≥95%(N)

Synonyms

Dimethyl (4-methylbenzene-1-sulfonyl)carbonodithioimidate | FT-0634429 | S,S'-Dimethyl N-(p-tolylsulfonyl)dithiocarbonimidate | TENOFOVIR (MART.) | J-016456 | N-(bis(methylthio)methylene)-P-toluene-sulfonamid | N-[Bis-(methylthio)methylene]-p-toluenesulfo

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

Dimethyl (4-methylbenzene-1-sulfonyl)carbonodithioimidate | FT-0634429 | S, S'-Dimethyl N-(p-tolylsulfonyl)dithiocarbonimidate | TENOFOVIR (MART.) | J-016456 | N-(bis(methylthio)methylene)-P-toluene-sulfonamid | N-[Bis-(methylthio)methylene]-p-toluenesulfo

Especificaciones y pureza

≥95%(N)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%(N)

Nombres e identificadores

• Pubchem Sid: 488189477
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488189477
• Sonrisas canónicas: CC1=CC=C(C=C1)S(=O)(=O)N=C(SC)SC
• IUPAC Name: N-[bis(methylsulfanyl)methylidene]-4-methylbenzenesulfonamide
• InChIKey: OWIPGZGAUSIOAX-UHFFFAOYSA-N
• INCHI: 1S/C10H13NO2S3/c1-8-4-6-9(7-5-8)16(12,13)11-10(14-2)15-3/h4-7H,1-3H3
• Isómeros SMILES: CC1=CC=C(C=C1)S(=O)(=O)N=C(SC)SC
• Peso molecular: 275.4
• Reaxy-Rn: 523570
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=523570&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzenesulfonamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzenesulfonamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonamides
• Alternative Parents: Tosyl compounds Benzenesulfonyl compounds Sulfonyls Organosulfonic acids and derivatives Sulfenyl compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzenesulfonamide - Tosyl compound - Benzenesulfonyl group - Toluene - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Sulfenyl compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organosulfur compound - Organonitrogen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked 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

Objetivos asociados (humanos)

GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

Discover Target: GLP1R

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Punto de fusión (°C): 111 °C
• Peso molecular: 275.400 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 275.011 Da
• Monoisotopic Mass: 275.011 Da
• Topological Polar Surface Area: 105.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 332.000
• 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