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Thiamine Thiothiazolone Pyrophosphate
[CAS# 59733-98-1]

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CAS#: 59733-98-1
Product: Thiamine Thiothiazolone Pyrophosphate
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Identification
Name Thiamine Thiothiazolone Pyrophosphate
Synonyms 2-[3-[(4-Amino-2-Methyl-Pyrimidin-5-Yl)Methyl]-4-Methyl-2-Thioxo-Thiazol-5-Yl]Ethyl Phosphono Hydrogen Phosphate; 2-[3-[(4-Amino-2-Methyl-5-Pyrimidinyl)Methyl]-4-Methyl-2-Thioxo-5-Thiazolyl]Ethyl Phosphono Hydrogen Phosphate; 2-[3-[(4-Amino-2-Methyl-Pyrimidin-5-Yl)Methyl]-4-Methyl-2-Sulfanylidene-1,3-Thiazol-5-Yl]Ethyl Phosphono Hydrogen Phosphate
Molecular Structure CAS#: 59733-98-1, Thiamine Thiothiazolone Pyrophosphate
Molecular Formula C12H18N4O7P2S2
Molecular Weight 456.36
CAS Registry Number 59733-98-1
SMILES C2=C(CN1C(=C(SC1=S)CCO[P](O[P](=O)(O)O)(=O)O)C)C(=NC(=N2)C)N
InChI 1S/C12H18N4O7P2S2/c1-7-10(3-4-22-25(20,21)23-24(17,18)19)27-12(26)16(7)6-9-5-14-8(2)15-11(9)13/h5H,3-4,6H2,1-2H3,(H,20,21)(H2,13,14,15)(H2,17,18,19)
InChIKey SYRCOKXTJAASDE-UHFFFAOYSA-N
Properties
Density 1.72g/cm3 (Cal.)
Boiling point 722.311°C at 760 mmHg (Cal.)
Flash point 390.64°C (Cal.)
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