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766-92-7 | BENZYL METHYL SULFIDE
CAS No: 766-92-7 Catalog No: AG003O4E MDL No:MFCD00008563
Product Description
Catalog Number:
AG003O4E
Chemical Name:
BENZYL METHYL SULFIDE
CAS Number:
766-92-7
MDL Number:
MFCD00008563
IUPAC Name:
methylsulfanylmethylbenzene
InChI:
InChI=1S/C8H10S/c1-9-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChI Key:
OFQPKKGMNWASPN-UHFFFAOYSA-N
EC Number:
212-174-7
UNII:
Y3900RBK51
NSC Number:
75125
FEMA Number:
3597
Properties
Complexity:
65
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.05g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
138.228g/mol
Monoisotopic Mass:
138.05g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| Cyclooxygenase-1-selective inhibitors based on the (E)-2'-des-methyl-sulindac sulfide scaffold. | Journal of medicinal chemistry 20120308 |
| Alloxazine-cyclodextrin conjugates for organocatalytic enantioselective sulfoxidations. | Organic & biomolecular chemistry 20111107 |
| Excellent correlation between cathepsin B inhibition and cytotoxicity for a series of palladacycles. | Dalton transactions (Cambridge, England : 2003) 20091228 |
| Stereoselective addition of alpha-methylsulfenyl benzyl carbanions to N-sulfinylketimines: asymmetric synthesis of alpha,alpha-dibranched beta-sulfanyl amines. | The Journal of organic chemistry 20090116 |
| Kinetic mechanism of phenylacetone monooxygenase from Thermobifida fusca. | Biochemistry 20080401 |
| Solvent effects on the redox properties of thioethers. | The journal of physical chemistry. A 20060803 |
| 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 of the American Chemical Society 20021218 |
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