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109029-21-2,MFCD02681991
Catalog No.:AA0082U9

109029-21-2 | 2,1,3-Benzothiadiazol-4-yl isothiocyanate

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Purity
Availability
Price(USD)
Quantity
  
500mg
>95%
2 weeks  
$674.00   $472.00
- +
1g
>95%
2 weeks  
$735.00   $515.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
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  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA0082U9
Chemical Name:
2,1,3-Benzothiadiazol-4-yl isothiocyanate
CAS Number:
109029-21-2
Molecular Formula:
C7H3N3S2
Molecular Weight:
193.2488
MDL Number:
MFCD02681991
SMILES:
S=C=Nc1cccc2c1nsn2
Properties
Computed Properties
 
Complexity:
215  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Rotatable Bond Count:
1  
XLogP3:
3.2  

Downstream Synthesis Route

[1]Kai,Hiroyuki;Morioka,Yasuhide;Tomida,Minoru;Takahashi,Tadashi;Hattori,Maki;Hanasaki,Kohji;Koike,Katsumi;Chiba,Hiroki;Shinohara,Shunji;Kanemasa,Toshiyuki;Iwamoto,Yuka;Takahashi,Kohji;Yamaguchi,Yoshitaka;Baba,Takahiko;Yoshikawa,Takayoshi;Takenaka,Hideyuki[BioorganicandMedicinalChemistryLetters,2007,vol.17,#14,p.3925-3929]

[1]Locationinpatent:experimentalpartHoeglund,AdrienneB.;Bostic,HeidiE.;Howard,AngelaL.;Wanjala,IreneW.;Best,MichaelD.;Baker,DanielL.;Parrill,AbbyL.[JournalofMedicinalChemistry,2010,vol.53,#3,p.1056-1066]

Literature
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SDS
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Tags:109029-21-2 Molecular Formula|109029-21-2 MDL|109029-21-2 SMILES|109029-21-2 2,1,3-Benzothiadiazol-4-yl isothiocyanate