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CAS

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89285-03-0

1-[2-(acetoxy)ethyl]-2-oxopropyl [(4-amino-2-methyl-5-pyrimidinyl)methyl]dithiocarbamate is a chemical compound that is an impurity of Thiamine, also known as Vitamin B1. Thiamine is an essential nutrient required for carbohydrate metabolism and is also involved in nerve function.

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  • 3-({[(4-amino-2-methylpyrimidin-5-yl)methyl]carbamothioyl}sulfanyl)-4-oxopentyl acetate

    Cas No: 89285-03-0

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  • Carbamodithioic acid,[(4-amino-2-methyl-5-pyrimidinyl)methyl]-, 1-[2-(acetyloxy)ethyl]-2-oxopropylester (9CI)

    Cas No: 89285-03-0

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  • 89285-03-0 Structure

  • Basic information

    1. Product Name: 1-[2-(acetoxy)ethyl]-2-oxopropyl [(4-amino-2-methyl-5-pyrimidinyl)methyl]dithiocarbamate
    2. Synonyms: 1-[2-(acetoxy)ethyl]-2-oxopropyl [(4-amino-2-methyl-5-pyrimidinyl)methyl]dithiocarbamate;N-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]dithiocarbamic acid 1-[2-(acetyloxy)ethyl]-2-oxopropyl ester;Einecs 289-484-4;[(4-amino-2-methyl-5-pyrimidinyl)methyl]carbamodithioic acid-1-[2-(acetylloxy(ethyl]-2-oxopropyl ester;ThiaMine ThiocarbaMate;[(4-AMino-2-Methyl-5-pyriMidinyl)Methyl]carbaModithioic Acid 1-[2-(Acetyloxy)ethyl]-2-oxopropyl Ester
    3. CAS NO:89285-03-0
    4. Molecular Formula: C14H20N4O3S2
    5. Molecular Weight: 356.4636
    6. EINECS: 289-484-4
    7. Product Categories: Amines;Aromatics;Heterocycles;Impurities;Intermediates & Fine Chemicals;Pharmaceuticals;Sulfur & Selenium Compounds
    8. Mol File: 89285-03-0.mol

  • Chemical Properties

    1. Melting Point: 250 °C (decomp)
    2. Boiling Point: 556.7°C at 760 mmHg
    3. Flash Point: 290.5°C
    4. Appearance: /
    5. Density: 1.312g/cm3
    6. Vapor Pressure: 1.98E-12mmHg at 25°C
    7. Refractive Index: 1.609
    8. Storage Temp.: 2-8°C(protect from light)
    9. Solubility: DMSO (Slightly), Methanol (Slightly, Heated)
    10. PKA: 10.42±0.70(Predicted)
    11. CAS DataBase Reference: 1-[2-(acetoxy)ethyl]-2-oxopropyl [(4-amino-2-methyl-5-pyrimidinyl)methyl]dithiocarbamate(CAS DataBase Reference)
    12. NIST Chemistry Reference: 1-[2-(acetoxy)ethyl]-2-oxopropyl [(4-amino-2-methyl-5-pyrimidinyl)methyl]dithiocarbamate(89285-03-0)
    13. EPA Substance Registry System: 1-[2-(acetoxy)ethyl]-2-oxopropyl [(4-amino-2-methyl-5-pyrimidinyl)methyl]dithiocarbamate(89285-03-0)

  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 89285-03-0(Hazardous Substances Data)

89285-03-0 Usage

Uses

Used in Pharmaceutical Industry:
1-[2-(acetoxy)ethyl]-2-oxopropyl [(4-amino-2-methyl-5-pyrimidinyl)methyl]dithiocarbamate is used as a Thiamine impurity in the pharmaceutical industry. It is important to monitor and control the levels of this impurity in Thiamine supplements and medications to ensure safety and efficacy.
Used in Quality Control:
1-[2-(acetoxy)ethyl]-2-oxopropyl [(4-amino-2-methyl-5-pyrimidinyl)methyl]dithiocarbamate is used in quality control processes to test and verify the purity of Thiamine products. This helps to ensure that the products meet the required standards and are safe for consumption.

Check Digit Verification of cas no

The CAS Registry Mumber 89285-03-0 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 8,9,2,8 and 5 respectively; the second part has 2 digits, 0 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 89285-03:
(7*8)+(6*9)+(5*2)+(4*8)+(3*5)+(2*0)+(1*3)=170
170 % 10 = 0
So 89285-03-0 is a valid CAS Registry Number.
InChI:InChI=1/C14H20N4O3S2/c1-8(19)12(4-5-21-10(3)20)23-14(22)17-7-11-6-16-9(2)18-13(11)15/h6,12H,4-5,7H2,1-3H3,(H,17,22)(H2,15,16,18)

89285-03-0SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name [3-[(4-amino-2-methylpyrimidin-5-yl)methylcarbamothioylsulfanyl]-4-oxopentyl] acetate

1.2 Other means of identification

Product number -
Other names EINECS 289-484-4

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:89285-03-0 SDS

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