Cas no 3561-67-9 (Bis(phenylthio)methane)

Bis(phenylthio)methane (CAS 3621-15-2) is an organosulfur compound with the molecular formula C??H??S?. It features a central methane group bonded to two phenylthio moieties, imparting unique reactivity and stability. This compound is commonly utilized as a sulfur-based reagent in organic synthesis, particularly in the formation of thioacetal derivatives and as a precursor in the preparation of sulfur-containing polymers. Its high thermal stability and resistance to hydrolysis make it suitable for applications requiring robust sulfur donors. Additionally, Bis(phenylthio)methane serves as a key intermediate in pharmaceuticals and agrochemicals due to its ability to introduce sulfur functionalities selectively.
Bis(phenylthio)methane structure
Bis(phenylthio)methane structure
Product Name:Bis(phenylthio)methane
CAS No:3561-67-9
MF:C13H12S2
MW:232.364380836487
MDL:MFCD00003067
CID:84793
PubChem ID:24871269
Update Time:2025-08-03

Bis(phenylthio)methane Chemical and Physical Properties

Names and Identifiers

    • [methylenebis(thio)]bisbenzene
    • Bis(phenylthio)methane
    • 1,1'-(METHYLENEBIS(THIO))BISBENZENE
    • phenylsulfanylmethylsulfanylbenzene
    • formaldehyde diphenylmercaptal
    • formaldehyde S,S-diphenyl acetal
    • Bis-(Phenylthio)methane
    • Formaldehyde diphenyl mercaptal
    • (Methylenebis(thio))bisbenzene
    • Bis(phenyithio)methane
    • ZHUPZVIALZHGGP-UHFFFAOYSA-N
    • Q63396512
    • Diphenylthiomethane
    • C13H12S2
    • NSC65477
    • phenylsulfanyl-methylsulfanyl-benzene
    • Bis(thiophenoxy)methane
    • {[(phenylsulfanyl)methyl]sulfanyl}benzene
    • Benzene, 1,1'-[methylenebis(thio)]bis-
    • (phenylthiomethylthio)benzene
    • NCIOpen2_003405
    • DTXSID20189083
    • AMY25148
    • ZHUPZVIALZHGGP-UHFFFAOYSA-
    • D70194
    • EINECS 222-624-4
    • ([(Phenylsulfanyl)methyl]sulfanyl)benzene #
    • NS00029885
    • [(phenylthio)methylthio]benzene
    • 1,1'-[Methylenebis(thio)]bis[benzene]
    • B1444
    • UNII-3EEZ74862L
    • Di(phenylthio)methane
    • A822904
    • MFCD00003067
    • 1-methylsulfanyl-2-phenylsulfanyl-benzene
    • AKOS015840602
    • Formaldehyde diphenyl dithioacetal
    • SCHEMBL777671
    • NSC 65477
    • FT-0623088
    • AS-57676
    • Formaldehyde bis(phenylthio) acetal
    • 3EEZ74862L
    • Bis(phenylthio)methane, >=98.0% (GC)
    • NSC-65477
    • 3561-67-9
    • CS-W010352
    • InChI=1/C13H12S2/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13/h1-10H,11H2
    • DB-022681
    • STK331044
    • 1,1'-(methanediyldisulfanediyl)dibenzene
    • MDL: MFCD00003067
    • Inchi: 1S/C13H12S2/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13/h1-10H,11H2
    • InChI Key: ZHUPZVIALZHGGP-UHFFFAOYSA-N
    • SMILES: S(CSC1C=CC=CC=1)C1C=CC=CC=1
    • BRN: 1874146

Computed Properties

  • Exact Mass: 232.03800
  • Monoisotopic Mass: 232.038
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 4
  • Complexity: 140
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 5.2
  • Topological Polar Surface Area: 50.6

Experimental Properties

  • Color/Form: White solid
  • Density: 1.2633 (rough estimate)
  • Melting Point: 34-37?°C (lit.)
  • Boiling Point: 194?°C/8?mmHg(lit.)
  • Flash Point: Degrees Fahrenheit:235.4°F
    Degrees Celsius:113°C
  • Refractive Index: 1.6210 (estimate)
  • Water Partition Coefficient: Insoluble in water.
  • PSA: 50.60000
  • LogP: 4.52850
  • Solubility: Insoluble

Bis(phenylthio)methane Security Information

  • Symbol: GHS07
  • Prompt:warning
  • Signal Word:Warning
  • Hazard Statement: H315,H319,H335
  • Warning Statement: P261,P305+P351+P338
  • Hazardous Material transportation number:UN 3335
  • WGK Germany:3
  • Hazard Category Code: 36/37/38
  • Safety Instruction: S26; S36
  • FLUKA BRAND F CODES:13
  • Hazardous Material Identification: Xi
  • HazardClass:STENCH
  • Risk Phrases:R36/37/38

Bis(phenylthio)methane Customs Data

  • HS CODE:2930909090
  • Customs Data:

    China Customs Code:

    2930909090

    Overview:

    2930909090. Other organic sulfur compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

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Bis(phenylthio)methane Suppliers

Amadis Chemical Company Limited
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(CAS:3561-67-9)Bis(phenylthio)methane
Order Number:A822904
Stock Status:in Stock
Quantity:100g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 05:16
Price ($):150.0

Additional information on Bis(phenylthio)methane

Introduction to Bis(phenylthio)methane (CAS No. 3561-67-9)

Bis(phenylthio)methane, with the chemical formula C14H14S2 and CAS number 3561-67-9, is a significant compound in the field of organic chemistry and has garnered considerable attention due to its unique structural and functional properties. This organosulfur compound, characterized by its two phenylthio (-SPh) groups attached to a central methane carbon, exhibits a range of applications in chemical synthesis, material science, and pharmaceutical research.

The molecular structure of Bis(phenylthio)methane imparts it with distinct chemical reactivity, making it a valuable intermediate in the synthesis of more complex molecules. Its dual sulfur atoms provide opportunities for coordination with various metal ions, which has been explored in catalytic systems and material design. Recent studies have highlighted its potential in the development of novel coordination polymers and metal-organic frameworks (MOFs), where the sulfur-rich environment facilitates stable metal-sulfur interactions essential for structural integrity and functionality.

In the realm of pharmaceutical research, Bis(phenylthio)methane has been investigated for its possible role as a precursor or analog in drug discovery. The phenylthio groups can be modified or incorporated into larger molecular frameworks to enhance binding affinity or metabolic stability. For instance, derivatives of this compound have shown promise in modulating enzyme activity, particularly in cases where sulfur-containing heterocycles are known to interact with biological targets. The versatility of its structure allows chemists to fine-tune properties such as solubility, reactivity, and electronic characteristics, making it a versatile building block.

The synthesis of Bis(phenylthio)methane typically involves the reaction of thiol derivatives with alkyl halides or other suitable electrophiles. Advances in synthetic methodologies have enabled more efficient and scalable production processes, which are crucial for industrial applications. Modern techniques such as transition-metal-catalyzed cross-coupling reactions have further refined the synthesis pathway, reducing byproducts and improving yields. These improvements align with the broader trend toward greener chemistry, where minimizing waste and energy consumption are paramount.

One of the most intriguing aspects of Bis(phenylthio)methane is its potential in materials science. The compound's ability to form stable complexes with transition metals has been leveraged in the development of luminescent materials and sensors. For example, complexes formed with palladium or platinum exhibit unique photophysical properties that can be harnessed for optical applications. Additionally, its role as a ligand in catalytic systems has been explored for applications in organic transformations, including C-H activation and oxidation reactions.

The pharmaceutical industry has also shown interest in Bis(phenylthio)methane due to its structural motif being present in several bioactive natural products. By studying analogs derived from this compound, researchers aim to uncover new therapeutic agents with improved efficacy and reduced side effects. Computational modeling and high-throughput screening have accelerated the discovery process by allowing rapid evaluation of molecular interactions. This interdisciplinary approach combines traditional synthetic chemistry with cutting-edge computational techniques to identify promising candidates for further development.

In conclusion, Bis(phenylthio)methane (CAS No. 3561-67-9) is a multifaceted compound with significant potential across multiple scientific domains. Its unique structural features enable diverse applications ranging from catalysis to pharmaceuticals and materials science. As research continues to uncover new methodologies and applications, this compound is poised to remain a cornerstone in synthetic chemistry and beyond.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:3561-67-9)Bis(phenylthio)methane
A822904
Purity:99%
Quantity:100g
Price ($):150.0
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