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Home > Encyclopedia > Carbamodithioic acid, [(4-amino-2-methyl-5-pyrimidinyl)methyl]-, 1-[2-(acetyloxy)ethyl]-2-oxopropyl ester

Carbamodithioic acid, [(4-amino-2-methyl-5-pyrimidinyl)methyl]-, 1-[2-(acetyloxy)ethyl]-2-oxopropyl ester

Carbamodithioic acid, [(4-amino-2-methyl-5-pyrimidinyl)methyl]-, 1-[2-(acetyloxy)ethyl]-2-oxopropyl ester structure

Carbamodithioic acid, [(4-amino-2-methyl-5-pyrimidinyl)methyl]-, 1-[2-(acetyloxy)ethyl]-2-oxopropyl ester 

structure
  • CAS No:

    89285-03-0

  • Formula:

    C14H20N4O3S2

  • Chemical Name:

    Carbamodithioic acid, [(4-amino-2-methyl-5-pyrimidinyl)methyl]-, 1-[2-(acetyloxy)ethyl]-2-oxopropyl ester

  • Synonyms:

    Carbamodithioic acid,[(4-amino-2-methyl-5-pyrimidinyl)methyl]-,1-[2-(acetyloxy)ethyl]-2-oxopropyl ester;1-[2-(Acetoxy)ethyl]-2-oxopropyl [(4-amino-2-methyl-5-pyrimidinyl)methyl]dithiocarbamate

Carbamodithioic acid, [(4-amino-2-methyl-5-pyrimidinyl)methyl]-, 1-[2-(acetyloxy)ethyl]-2-oxopropyl ester Basic Attributes

356.4636

356.46

289-484-4

Characteristics

165

1.72710

1.312g/cm3

250 °C (decomp)

556.7ºC at 760 mmHg

290.5ºC

1.609

Carbamodithioic acid, [(4-amino-2-methyl-5-pyrimidinyl)methyl]-, 1-[2-(acetyloxy)ethyl]-2-oxopropyl ester Use and Manufacturing

Thiamine (T344185) impurity.

Computed Properties

Molecular Weight:356.5
XLogP3:1.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:9
Exact Mass:356.09768286
Monoisotopic Mass:356.09768286
Topological Polar Surface Area:165
Heavy Atom Count:23
Complexity:436
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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