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89795-51-7,MFCD03086103
Catalog No.:AA003ZAU

89795-51-7 | 2,1,3-Benzothiadiazol-5-ylmethanol

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%
in stock  
$78.00   $55.00
- +
1g
95%
in stock  
$232.00   $163.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003ZAU
Chemical Name:
2,1,3-Benzothiadiazol-5-ylmethanol
CAS Number:
89795-51-7
Molecular Formula:
C7H6N2OS
Molecular Weight:
166.2003
MDL Number:
MFCD03086103
SMILES:
OCc1ccc2c(c1)nsn2
Properties
Properties
 
BP:
313.5 °C at 760 mmHg  
Form:
Solid  
MP:
61-63 °C  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
144  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
0.9  

Literature

Title: Structurally Diverse Mitochondrial Branched Chain Aminotransferase (BCATm) Leads with Varying Binding Modes Identified by Fragment Screening.

Journal: Journal of medicinal chemistry 20160324

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SDS
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Tags:89795-51-7 Molecular Formula|89795-51-7 MDL|89795-51-7 SMILES|89795-51-7 2,1,3-Benzothiadiazol-5-ylmethanol
Catalog No.: AA003ZAU
89795-51-7,MFCD03086103
89795-51-7 | 2,1,3-Benzothiadiazol-5-ylmethanol
Pack Size： 250mg
Purity： 95%
in stock
$78.00 $55.00
Pack Size： 1g
Purity： 95%
in stock
$232.00 $163.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA003ZAU
Chemical Name: 2,1,3-Benzothiadiazol-5-ylmethanol
CAS Number: 89795-51-7
Molecular Formula: C7H6N2OS
Molecular Weight: 166.2003
MDL Number: MFCD03086103
SMILES: OCc1ccc2c(c1)nsn2
Properties
BP: 313.5 °C at 760 mmHg  
Form: Solid  
MP: 61-63 °C  
Storage: Keep in dry area;2-8℃;  
Complexity: 144  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 11  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 0.9  
Literature fold

Title: Structurally Diverse Mitochondrial Branched Chain Aminotransferase (BCATm) Leads with Varying Binding Modes Identified by Fragment Screening.

Journal: Journal of medicinal chemistry20160324

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