766-92-7,MFCD00008563
Catalog No.:AA003O1M

766-92-7 | Benzyl methyl sulfide

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$36.00   $25.00
- +
5g
98%
in stock  
$46.00   $32.00
- +
25g
98%
in stock  
$222.00   $155.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003O1M
Chemical Name:
Benzyl methyl sulfide
CAS Number:
766-92-7
Molecular Formula:
C8H10S
Molecular Weight:
138.2300
MDL Number:
MFCD00008563
SMILES:
CSCc1ccccc1
NSC Number:
75125
FEMA Number:
3597
Properties
Properties
 
BP:
210.0°C  
Form:
Liquid  
MP:
-28℃  
Storage:
Room Temperature;Keep in dry area;  

Computed Properties
 
Complexity:
65  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.9  

Downstream Synthesis Route

[1]Hauseretal.[JournaloftheAmericanChemicalSociety,1953,vol.75,p.2660,2662]

[1]ComptesRendusHebdomadairesdesSeancesdel'AcademiedesSciences,1964,vol.258,p.2092-2093

[1]Synthesis,1982,p.1014-1015

766-92-7    107264-00-6    2924-74-5   
α-fluoro-α-(methylthio)toluene 
 
2,4,6-trimethylpyridiniumtrifluoromethanesulfonate 

[1]BulletinoftheChemicalSocietyofJapan,1986,vol.59,p.3625-3630

[2]BulletinoftheChemicalSocietyofJapan,1986,vol.59,p.3625-3630

766-92-7    107264-00-6   
Fluoromethanesulfonylmethyl-benzene 
 
(Fluoro-methanesulfonyl-methyl)-benzene 

[1]BulletinoftheChemicalSocietyofJapan,1986,vol.59,p.3625-3630

Literature

Title: Cyclooxygenase-1-selective inhibitors based on the (E)-2'-des-methyl-sulindac sulfide scaffold.

Journal: Journal of medicinal chemistry 20120308

Title: Alloxazine-cyclodextrin conjugates for organocatalytic enantioselective sulfoxidations.

Journal: Organic & biomolecular chemistry 20111107

Title: Excellent correlation between cathepsin B inhibition and cytotoxicity for a series of palladacycles.

Journal: Dalton transactions (Cambridge, England : 2003) 20091228

Title: Stereoselective addition of alpha-methylsulfenyl benzyl carbanions to N-sulfinylketimines: asymmetric synthesis of alpha,alpha-dibranched beta-sulfanyl amines.

Journal: The Journal of organic chemistry 20090116

Title: Kinetic mechanism of phenylacetone monooxygenase from Thermobifida fusca.

Journal: Biochemistry 20080401

Title: Solvent effects on the redox properties of thioethers.

Journal: The journal of physical chemistry. A 20060803

Title: Physical organic chemistry of transition metal carbene complexes. 25. Kinetic and thermodynamic acidities of substituted (methylthiophenylcarbene)pentacarbonyl tungsten(0) and (Benzoxymethylcarbene)pentacarbonyl tungsten(0) in aqueous acetonitrile. Evidence for transition state imbalances.

Journal: Journal of the American Chemical Society 20021218

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SDS
Tags:766-92-7 Molecular Formula|766-92-7 MDL|766-92-7 SMILES|766-92-7 Benzyl methyl sulfide
Catalog No.: AA003O1M
766-92-7,MFCD00008563
766-92-7 | Benzyl methyl sulfide
Pack Size: 1g
Purity: 98%
in stock
$36.00 $25.00
Pack Size: 5g
Purity: 98%
in stock
$46.00 $32.00
Pack Size: 25g
Purity: 98%
in stock
$222.00 $155.00
Quantity
- +
Add to Card
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bulk Quotation Request
Technical Information
Catalog Number: AA003O1M
Chemical Name: Benzyl methyl sulfide
CAS Number: 766-92-7
Molecular Formula: C8H10S
Molecular Weight: 138.2300
MDL Number: MFCD00008563
SMILES: CSCc1ccccc1
NSC Number: 75125
FEMA Number: 3597
Properties
BP: 210.0°C  
Form: Liquid  
MP: -28℃  
Storage: Room Temperature;Keep in dry area;  
Complexity: 65  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 9  
Hydrogen Bond Acceptor Count: 1  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.9  
Downstream Synthesis Route
766-92-7    7341-24-4 

[1]Hauseretal.[JournaloftheAmericanChemicalSociety,1953,vol.75,p.2660,2662]

1618-26-4    100-52-7    766-92-7    14252-44-9 

[1]ComptesRendusHebdomadairesdesSeancesdel'AcademiedesSciences,1964,vol.258,p.2092-2093

13673-62-6    100-51-6    59-49-4    766-92-7 

[1]Synthesis,1982,p.1014-1015

766-92-7    107264-00-6    2924-74-5   
α-fluoro-α-(methylthio)toluene 
 
2,4,6-trimethylpyridiniumtrifluoromethanesulfonate 

[1]BulletinoftheChemicalSocietyofJapan,1986,vol.59,p.3625-3630

[2]BulletinoftheChemicalSocietyofJapan,1986,vol.59,p.3625-3630

766-92-7    107264-00-6   
Fluoromethanesulfonylmethyl-benzene 
 
(Fluoro-methanesulfonyl-methyl)-benzene 

[1]BulletinoftheChemicalSocietyofJapan,1986,vol.59,p.3625-3630

Literature fold

Title: Cyclooxygenase-1-selective inhibitors based on the (E)-2'-des-methyl-sulindac sulfide scaffold.

Journal: Journal of medicinal chemistry20120308

Title: Alloxazine-cyclodextrin conjugates for organocatalytic enantioselective sulfoxidations.

Journal: Organic & biomolecular chemistry20111107

Title: Excellent correlation between cathepsin B inhibition and cytotoxicity for a series of palladacycles.

Journal: Dalton transactions (Cambridge, England : 2003)20091228

Title: Stereoselective addition of alpha-methylsulfenyl benzyl carbanions to N-sulfinylketimines: asymmetric synthesis of alpha,alpha-dibranched beta-sulfanyl amines.

Journal: The Journal of organic chemistry20090116

Title: Kinetic mechanism of phenylacetone monooxygenase from Thermobifida fusca.

Journal: Biochemistry20080401

Title: Solvent effects on the redox properties of thioethers.

Journal: The journal of physical chemistry. A20060803

Title: Physical organic chemistry of transition metal carbene complexes. 25. Kinetic and thermodynamic acidities of substituted (methylthiophenylcarbene)pentacarbonyl tungsten(0) and (Benzoxymethylcarbene)pentacarbonyl tungsten(0) in aqueous acetonitrile. Evidence for transition state imbalances.

Journal: Journal of the American Chemical Society20021218

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