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Home Other Building Blocks 78981-22-3
78981-22-3,MFCD00077142
Catalog No.:AA0054FC

78981-22-3 | 3-(4-Methyl-benzylsulfanyl)-propionic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
≥ 98% (HPLC)
in stock  
$83.00   $58.00
- +
5g
≥ 98% (HPLC)
in stock  
$225.00   $158.00
- +
25g
≥ 98% (HPLC)
in stock  
$779.00   $546.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA0054FC
Chemical Name:
3-(4-Methyl-benzylsulfanyl)-propionic acid
CAS Number:
78981-22-3
Molecular Formula:
C11H14O2S
Molecular Weight:
210.2927
MDL Number:
MFCD00077142
SMILES:
OC(=O)CCSCc1ccc(cc1)C
Properties
Properties
 
BP:
366.3±30.0 °C(Predicted)  
Form:
Solid  
MP:
74-76 °C  

Computed Properties
 
Complexity:
174  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
5  
XLogP3:
2.2  

Downstream Synthesis Route

[1]JournalofMedicinalChemistry,1988,vol.31,p.742-744

Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

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SDS
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Tags:78981-22-3 Molecular Formula|78981-22-3 MDL|78981-22-3 SMILES|78981-22-3 3-(4-Methyl-benzylsulfanyl)-propionic acid