Bis(phenylthio)methane - ≥97% , CAS No.3561-67-9

CAS: 3561-67-9 Cat. No.: B140293 Formule: C₁₃H₁₂S₂ Poids moléculaire: 232.36 Beilstein Registry Number: 1874146 Numéro CE: 222-624-4

QUALITÉ & PURETÉ ≥97%

Synonyms

1-{[(phenylthio)methyl]thio}benzene|1-methylsulfanyl-2-phenylsulfanyl-benzene|Diphenylthiomethane|[(phenylthio)methylthio]benzene|1,1'-(methanediyldisulfanediyl)dibenzene|4-(phenylcarbonyl)benzoic acid|Bis(phenyithio)methane|Benzophenone, 4,4'-dimethyl-|{[(phenylsulfanyl)methyl]sulfanyl}benzene|1,1'-[Methylenebis(thio)]bis[benzene]|Bis(thiophenoxy)methane|([(Phenylsulfanyl)methyl]sulfanyl)benzene #|Bis(phenylthio)methane|(Methylenebis(thio))bisbenzene|alpha-Chloro-o-tolunitrile|Formaldehyde diphenyl dithioacetal|Formaldehyde bis(phenylthio) acetal|Formaldehyde diphenyl mercaptal|phenylsulfanylmethylsulfanylbenzene|Di(phenylthio)methane|Benzene, 1,1'-[methylenebis(thio)]bis-

Storage

Store at 2-8°C

Shipped In

Wet ice

Vue d’ensemble

Acyl anion equivalent with some advantages over 1,3-dithiane for the preparation of vinyl sulfides.
It may be used in the synthesis of the following:dihydroxy thioethers; [Cu4I4{μ-PhS2CH2SPh}2]n; [(η5-C5Me5)MCl2(η1-(PhS)2CH2)] (M=Rh, Ir ; C5Me5= pentamethylcyclopentadienyl); 6-deoxy-1,2:3,4-di-O-isopropylidene-α-D-galactoheptodialdo-1,5-pyranose diphenyl dithioacetal.

Spécifications

Synonymes

1-{[(phenylthio)methyl]thio}benzene | 1-methylsulfanyl-2-phenylsulfanyl-benzene | Diphenylthiomethane | [(phenylthio)methylthio]benzene | 1,1'-(methanediyldisulfanediyl)dibenzene | 4-(phenylcarbonyl)benzoic acid | Bis(phenyithio)methane | Benzophenone, 4,4'-dimethyl- | {[(phenylsulfanyl)methyl]sulfanyl}benzene | 1,1'-[Methylenebis(thio)]b Afficher plus

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥97%

Noms et identifiants

Pubchem Sid

508812721

Sourires canoniques

C1=CC=C(C=C1)SCSC2=CC=CC=C2

IUPAC Name

phenylsulfanylmethylsulfanylbenzene

InChIKey

ZHUPZVIALZHGGP-UHFFFAOYSA-N

INCHI

1S/C13H12S2/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13/h1-10H,11H2

Isomères SMILES

C1=CC=C(C=C1)SCSC2=CC=CC=C2

WGK Allemagne

3

Poids moléculaire

232.36

Beilstein

1874146

Reaxy-Rn

1874146

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1874146&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Classe Thioethers
      • Subclass Aryl thioethers

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Classe: Thioethers
• Subclass: Aryl thioethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Aryl thioethers
• Alternative Parents: Thiophenol ethers Alkylarylthioethers Benzene and substituted derivatives Dithioacetals Sulfenyl compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aryl thioether - Thiophenol ether - Alkylarylthioether - Benzenoid - Monocyclic benzene moiety - Thioacetal - Sulfenyl compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aryl thioethers. These are organosulfur compounds containing a thioether group that is substituted by an aryl group.
• 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

Propriétés chimiques et physiques

• Solubilité: Insoluble in water.
• Point d'éclair (°F): 235.4 °F
• Point d'éclair (°C): 113 °C
• Point d'ébullition (°C): 194°C/8mmHg
• Point de fusion (°C): 36.0-38.0℃
• Poids moléculaire: 232.400 g/mol
• XLogP3: 5.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 232.038 Da
• Monoisotopic Mass: 232.038 Da
• Topological Polar Surface Area: 50.600 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 140.000
• 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