Product Name

  • Name

    N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-N-[4-hydroxy-1-methyl-2-(propyldithio)but-1-en-1-yl]formamide monohydrochloride

  • EINECS
  • CAS No. 973-99-9
  • Density 1.261g/cm3
  • Solubility
  • Melting Point
  • Formula C15H24 N4 O2 S2 . Cl H
  • Boiling Point 593.7°Cat760mmHg
  • Molecular Weight 393.01
  • Flash Point 312.9°C
  • Transport Information
  • Appearance
  • Safety Poison by intravenous route. Moderately toxic by ingestion. When heated to decomposition it emits very toxic fumes of HCl, SOx, and NOx.
  • Risk Codes
  • Molecular Structure Molecular Structure of 973-99-9 (N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-N-[4-hydroxy-1-methyl-2-(propyldithio)but-1-en-1-yl]formamide monohydrochloride)
  • Hazard Symbols
  • Synonyms Formamide,N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-N-[4-hydroxy-1-methyl-2-(propyldithio)-1-butenyl]-,monohydrochloride (8CI,9CI); Dithiopropylthiamine hydrochloride; Prosultiaminehydrochloride; Thiamine propyl disulfide hydrochloride
  • PSA 143.67000
  • LogP 4.09890

Dithiopropylthiamine hydrochloride Chemical Properties

Molecular Structure of Dithiopropylthiamine hydrochloride (CAS NO.973-99-9):


IUPAC: N-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-N-(4-hydroxy-1-methyl-2-propyldisulfanyl-but-1-enyl)formamide hydrochloride
Molecular Formula:C15H25ClN4O2S2
Molecular Weight:392.9676
EINECS:213-547-7
Density:1.261g/cm3
Melting point:160-161oC
Flash Point:324.3oC
Boiling Point:612.6oC at 760 mmHg
SMILES:Cl.Nc1nc(C)ncc1CN(C=O)C(C)=C(CCO)SSCCC 
InChI:InChI=1/C15H24N4O2S2.ClH/c1-4-7-22-23-14(5-6-20)11(2)19(10-21)9-13-8-17-12(3)18-15(13)16;/h8,10,20H,4-7,9H2,1-3H3,(H2,16,17,18);1H 
InChIKey:DURRYBGTQKKQBR-UHFFFAOYAM 
Enthalpy of Vaporization:95.6 kJ/mol
Vapour Pressure:7.34E-16 mmHg at 25oC

Dithiopropylthiamine hydrochloride Toxicity Data With Reference

1.    

orl-mus LD50:2512 mg/kg

     IZVIAK    Internationale Zeitschrift fuer Vitaminforschung. International Review of Vitamin Research. 37 (1967),82.
2.    

ivn-mus LD50:302 mg/kg

     IZVIAK    Internationale Zeitschrift fuer Vitaminforschung. International Review of Vitamin Research. 37 (1967),82.

Dithiopropylthiamine hydrochloride Safety Profile

Poison by intravenous route. Moderately toxic by ingestion. When heated to decomposition it emits very toxic fumes of HCl, SOx, and NOx.

Dithiopropylthiamine hydrochloride Specification

 Dithiopropylthiamine hydrochloride with cas registry number of 973-99-9 is also known as N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-N-[4-hydroxy-1-methyl-2-(propyldithio)but-1-en-1-yl]formamide monohydrochloride ; Thiamine propyl disulfide hydrochloride . It is a solid and this compound is stable under normal temperatures and pressures but it also should be stored in a cool, dry place when not in use. Dithiopropylthiamine hydrochloride with cas registry number of 973-99-9 is used as a pharmaceutical Intermediate. 

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