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Home Amines 299-88-7
299-88-7,MFCD00867787
Catalog No.:AA003P8V

299-88-7 | Dibenzoyl thiamine

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
98%
in stock  
$7.00   $5.00
- +
100mg
98%
in stock  
$77.00   $54.00
- +
250mg
98%
in stock  
$99.00   $69.00
- +
1g
98%
in stock  
$154.00   $108.00
- +
5g
98%
in stock  
$486.00   $340.00
- +
10g
98%
in stock  
$829.00   $580.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003P8V
Chemical Name:
Dibenzoyl thiamine
CAS Number:
299-88-7
Molecular Formula:
C26H26N4O4S
Molecular Weight:
490.5740
MDL Number:
MFCD00867787
SMILES:
O=CN(/C(=C(\SC(=O)c1ccccc1)/CCOC(=O)c1ccccc1)/C)Cc1cnc(nc1N)C
Properties
Properties
 
BP:
718.2°C at 760 mmHg  
Form:
Solid  
MP:
173℃  
Storage:
Inert atmosphere;Room Temperature;  

Computed Properties
 
Complexity:
750  
Covalently-Bonded Unit Count:
1  
Defined Bond Stereocenter Count:
1  
Heavy Atom Count:
35  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
11  
XLogP3:
3.8  

Literature

Title: Heywood R, et al. Tumorigenic and toxic effect of O,S-dibenzoyl thiamine hydrochloride in prolonged dietaryadministration to rats. Toxicol Lett. 1985 Jul;26(1):53-8.

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SDS
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