1-[2-(acetoxy)ethyl]-2-oxopropyl [(4-amino-2-methyl-5-pyrimidinyl)methyl]dithiocarbamate Chemical Properties

Melting point:

250 °C (decomp)

Boiling point:

556.7±60.0 °C(Predicted)

Density 

1.312±0.06 g/cm3(Predicted)

storage temp. 

2-8°C(protect from light)

solubility 

DMSO (Slightly), Methanol (Slightly, Heated)

form 

Solid

pka

10.42±0.70(Predicted)

color 

Yellow

Major Application

pharmaceutical

InChI

1S/C14H20N4O4S.CH3NOS/c1-8(19)12(4-5-22-10(3)20)23-14(21)17-7-11-6-16-9(2)18-13(11)15;2-1(3)4/h6,12H,4-5,7H2,1-3H3,(H,17,21)(H2,15,16,18);(H3,2,3,4)/p-1

InChIKey

CGOPORLNMBHBEL-UHFFFAOYSA-M

SMILES

[S-]C(=O)N.S(C(CCOC(=O)C)C(=O)C)C(=O)NCc1c(nc(nc1)C)N

Safety Information

WGK Germany 

WGK 2

Storage Class

11 - Combustible Solids

1-[2-(acetoxy)ethyl]-2-oxopropyl [(4-amino-2-methyl-5-pyrimidinyl)methyl]dithiocarbamate Usage And Synthesis

Uses

Thiamine Thiocarbamate is a Thiamine (T344185) impurity. Thiamine is a essential nutrient required for carbohydrate metabolism; also involved in nerve function.

1-[2-(acetoxy)ethyl]-2-oxopropyl [(4-amino-2-methyl-5-pyrimidinyl)methyl]dithiocarbamate(89285-03-0)Related Product Information

• Thiamine
• ThiaMine Acetate
• 4-AMino-5-(forMaMidoMethyl)-2-MethylpyriMidine
• THIAMINE MONOPHOSPHATE CHLORIDE*DIHYDRAT E
• Thiamine hydrochloride
• FWNAAOBWGCASMX-UHFFFAOYSA-M
• 3-[(4-AMino-2-Methyl-5-pyriMidinyl)Methyl]-4-Methyl-5-[2-(sulfooxy)ethyl]thiazoliuM Inner Salt
• Beclotiamine Hydrochloride
• THIOTHIAMINE
• 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methylthiazol-2(3H)-one
• Thiamine Impurity 22
• Thiamine Impurity 28
• 2-Cyclohexen-1-one, 6-amino-6-(2-chlorophenyl)-, (6S)-
• Formamide, N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-N-(4-hydroxy-2-mercapto-1-methyl-1-buten-1-yl)-, ion(1-)
• Cyclohexanone,2-amino-2-(2-chlorophenyl)-6-hydroxy-,(2S,6S)-
• Thiamine Impurity 27
• (R)-Norketamine
• Cyclohexanone,2-amino-2-(2-chlorophenyl)-6-hydroxy-,(2R-cis)-(9Cl)