Disulfuro de bencilo - ≥98% , CAS No.150-60-7

CAS: 150-60-7 Cat. No.: B101820 Peso molecular: 246.39 Beilstein Registry Number: 1110443 Número EC: 695-033-6

GRADE & PURITY ≥98%

Synonyms

Benzyl disulfide, 8CI | Benzyl disulfide, 98%, FG | Dibenzyl disulphide | EN300-16500 | [(Benzyldisulfanyl)methyl]benzene | BDS | CCRIS 6924 | [(Benzyldisulfanyl)methyl]benzene # | 1,4-Diphenyl-2,3-dithiabutane | ghl.PD_Mitscher_leg0.312 | NSC677465 | NSC

Storage

Room temperature,Cool

Shipped In

Normal

Descripción general

Procedente de la Petiveria alliacea L. Este compuesto, junto con otros que contienen azufre, presenta actividad antibacteriana y antifúngica.

Specifications

Sinónimos

Benzyl disulfide, 8CI | Benzyl disulfide, 98%, FG | Dibenzyl disulphide | EN300-16500 | [(Benzyldisulfanyl)methyl]benzene | BDS | CCRIS 6924 | [(Benzyldisulfanyl)methyl]benzene # | 1, 4-Diphenyl-2, 3-dithiabutane | ghl.PD_Mitscher_leg0.312 | NSC677465 | NSC

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature, Cool

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488180922
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180922
• Sonrisas canónicas: C1=CC=C(C=C1)CSSCC2=CC=CC=C2
• IUPAC Name: (benzyldisulfanyl)methylbenzene
• InChIKey: GVPWHKZIJBODOX-UHFFFAOYSA-N
• INCHI: 1S/C14H14S2/c1-3-7-13(8-4-1)11-15-16-12-14-9-5-2-6-10-14/h1-10H,11-12H2
• Isómeros SMILES: C1=CC=C(C=C1)CSSCC2=CC=CC=C2
• WGK Alemania: 2
• RTECS: JO1750000
• Peso molecular: 246.39
• Beilstein: 1110443
• Reaxy-Rn: 1110443
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1110443&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Dialkyldisulfides Sulfenyl compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Dialkyldisulfide - Organic disulfide - Sulfenyl compound - Hydrocarbon derivative - Organosulfur compound - Aromatic homomonocyclic compound
• Descripción: 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: organic disulfide - organic aromatic compound

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)

SLC16A1 Tchem Monocarboxylate transporter 1 (146 Activities)

Discover Target: SLC16A1

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

Objetivos asociados (no humanos)

Human immunodeficiency virus 1 (70413 Activities)

Explore this target

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Chloroform (Slightly), Ethyl Acetate (Slightly)
• Punto de inflamación (°F): 302°F
• Punto de inflamación (°C): 150℃
• Punto de ebullición (°C): 210-216℃/18mm
• Punto de fusión (°C): 69-72°C
• Peso molecular: 246.400 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 246.054 Da
• Monoisotopic Mass: 246.054 Da
• Topological Polar Surface Area: 50.600 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 150.000
• 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

Referencias

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