Thiamine Thiocarbamate - CAS 89285-03-0?

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Catalog Number: R050235

CAS Number: 89285-03-0?

PubChem Substance ID:355429746

Molecular Formula: C14H20N4O3S2

Molecular Weight:356.459

Purity: ≥95%

* For research use only. Not for human or veterinary use.

Synonym

Synonyms[(4-Amino-2-methyl-5-pyrimidinyl)methyl]carbamodithioic Acid 1-[2-(Acetyloxy)ethyl]-2-oxopropyl Ester;

Property

Molecular Formula: C14H20N4O3S2
Molecular Weight356.459
Purity≥95%
StorageStore at -20°C

Computed Descriptor

IUPAC Name[3-[(4-amino-2-methylpyrimidin-5-yl)methylcarbamothioylsulfanyl]-4-oxopentyl] acetate
InChIInChI=1S/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)
InChIKeyKGQSETSDUBYCAU-UHFFFAOYSA-N
SMILESCC1=NC=C(C(=N1)N)CNC(=S)SC(CCOC(=O)C)C(=O)C