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622-59-3,MFCD00004813
Catalog No.:AA003LPO

622-59-3 | 4-Methylphenyl Isothiocyanate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%(GC)
in stock  
$45.00   $32.00
- +
5g
>98.0%(GC)
in stock  
$64.00   $45.00
- +
25g
>98.0%(GC)
in stock  
$191.00   $134.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003LPO
Chemical Name:
4-Methylphenyl Isothiocyanate
CAS Number:
622-59-3
Molecular Formula:
C8H7NS
Molecular Weight:
149.2129
MDL Number:
MFCD00004813
SMILES:
S=C=Nc1ccc(cc1)C
Properties
Properties
 
BP:
237.0°C  
Storage:
2-8℃;Inert atmosphere;  

Computed Properties
 
Complexity:
141  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.9  

Literature

Title: Structure-activity relationships, ligand efficiency, and lipophilic efficiency profiles of benzophenone-type inhibitors of the multidrug transporter P-glycoprotein.

Journal: Journal of medicinal chemistry 20120412

Title: Lacosamide isothiocyanate-based agents: novel agents to target and identify lacosamide receptors.

Journal: Journal of medicinal chemistry 20091112

Title: Synthesis, structure, and reactivity of mononuclear RE(I) oximato complexes.

Journal: Inorganic chemistry 20070402

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SDS
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Tags:622-59-3 Molecular Formula|622-59-3 MDL|622-59-3 SMILES|622-59-3 4-Methylphenyl Isothiocyanate
Catalog No.: AA003LPO
622-59-3,MFCD00004813
622-59-3 | 4-Methylphenyl Isothiocyanate
Pack Size： 1g
Purity： 98%(GC)
in stock
$45.00 $32.00
Pack Size： 5g
Purity： >98.0%(GC)
in stock
$64.00 $45.00
Pack Size： 25g
Purity： >98.0%(GC)
in stock
$191.00 $134.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA003LPO
Chemical Name: 4-Methylphenyl Isothiocyanate
CAS Number: 622-59-3
Molecular Formula: C8H7NS
Molecular Weight: 149.2129
MDL Number: MFCD00004813
SMILES: S=C=Nc1ccc(cc1)C
Properties
BP: 237.0°C  
Storage: 2-8℃;Inert atmosphere;  
Complexity: 141  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 10  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.9  
Literature fold

Title: Structure-activity relationships, ligand efficiency, and lipophilic efficiency profiles of benzophenone-type inhibitors of the multidrug transporter P-glycoprotein.

Journal: Journal of medicinal chemistry20120412

Title: Lacosamide isothiocyanate-based agents: novel agents to target and identify lacosamide receptors.

Journal: Journal of medicinal chemistry20091112

Title: Synthesis, structure, and reactivity of mononuclear RE(I) oximato complexes.

Journal: Inorganic chemistry20070402

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