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Dibenzoylthiamine

Dibenzoylthiamine structure

Dibenzoylthiamine 

structure
  • CAS No:

    299-88-7

  • Formula:

    C26H26N4O4S

  • Chemical Name:

    Dibenzoylthiamine

  • Synonyms:

    Benzenecarbothioic acid,S-[2-[[(4-amino-2-methyl-5-pyrimidinyl)methyl]formylamino]-1-[2-(benzoyloxy)ethyl]-1-propen-1-yl] ester;Benzoic acid,thio-,S-ester with N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-N-(4-hydroxy-2-mercapto-1-methyl-1-butenyl)formamide benzoate (ester);Thiamine,O,S-dibenzoyl-;Benzenecarbothioic acid,S-[2-[[(4-amino-2-methyl-5-pyrimidinyl)methyl]formylamino]-1-[2-(benzoyloxy)ethyl]-1-propenyl] ester;Bentiamine;DBT;Dibenzoylthiamine;O,S-Dibenzoylthiamine;O,S-Bis(benzoyl)thiamine disulfide;Dibenthiamine;103032-39-9

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

Description

Dibenzoyl Thiamine (Bentiamine), a derivative of thiamine, is rapidly absorbed into the body and converted to thiamine.

Dibenzoylthiamine Basic Attributes

490.57

490.57

206-084-7

DTXSID7043827

Characteristics

141

1.291g/cm3

172 °C

718.2°C at 760 mmHg

388.1ºC

1.639

Safety Information

DH6908500

Computed Properties

Molecular Weight:490.6
XLogP3:3.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:11
Exact Mass:490.16747650
Monoisotopic Mass:490.16747650
Topological Polar Surface Area:141
Heavy Atom Count:35
Complexity:750
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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