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Home Other Building Blocks 3529-87-1
3529-87-1,MFCD00060376
Catalog No.:AA00C5M1

3529-87-1 | 4-Phenoxyphenyl isothiocyanate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$47.00   $33.00
- +
5g
96%
in stock  
$95.00   $67.00
- +
10g
96%
in stock  
$153.00   $107.00
- +
25g
96%
in stock  
$295.00   $206.00
- +
100g
96%
in stock  
$976.00   $683.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00C5M1
Chemical Name:
4-Phenoxyphenyl isothiocyanate
CAS Number:
3529-87-1
Molecular Formula:
C13H9NOS
Molecular Weight:
227.2817
MDL Number:
MFCD00060376
SMILES:
S=C=Nc1ccc(cc1)Oc1ccccc1
Properties
Properties
 
BP:
143 °C(Press: 0.2 Torr)  
Form:
Solid  
MP:
42 °C  
Storage:
2-8℃;  

Computed Properties
 
Complexity:
249  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Rotatable Bond Count:
3  
XLogP3:
4.8  

Downstream Synthesis Route
557-68-6    3529-87-1   
4-phenoxy-N-(2Z)-2-thietanylideneaniline 

[1]Senatore,Raffaele;Malik,Monika;Langer,Thierry;Holzer,Wolfgang;Pace,Vittorio[AngewandteChemie-InternationalEdition,2021,vol.60,#47,p.24854-24858][Angew.Chem.,2021,vol.133,#47,p.25058-25062]

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:3529-87-1 Molecular Formula|3529-87-1 MDL|3529-87-1 SMILES|3529-87-1 4-Phenoxyphenyl isothiocyanate