6-Thioinosinic acid structure

6-Thioinosinic acid

[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate

Also Known As: Thioinosinic acid|6-Thioinosine Phosphate|6-Thioinosinic Acid|6-Thioinosine 5'-monophosphate|Thio-IMP|6-Mercaptopurine ribotide|thioinosine monophosphate|6-Mercaptopurine ribonucleotide|6-Thio-IMP|5'-Inosinic acid, 6-thio-|TIMP|6-Thio-5'-inosinic Acid|6-Thioinosine Phosphate (~90%)|6-Thioinosine-5'-monophosphate|6-thioinosin-5'-monophosphat|6-thioinosine5'-monophosphate|6-Mercaptopurine riboside 5'-phosphate|6-Thioinosine 5 -phosphate|6-Thioinosine 5a(2)-phosphate|6-Thioinosine 5'-phosphate (VAN)|EINECS 200-183-9|6-Mercaptopurine riboside 5'-monophosphate|6-Thio-Inosine-5'-monophosphate|Thioinosine monophosphate (TIMP)|6-Mercaptopurine riboside-5-phosphate|6-Thioinosine Phosphate (>85%)|6-Thioinosine 5 -phosphoric acid|6-Thioinosine-5 -phosphoric acid

CAS: 53-83-8
Molecular Formula C10H13N4O7PS
Molecular Weight 364.02426 g/mol
LogP -0.78261
Topological Polar Surface Area 162.95 Ų
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 8
Rotatable Bonds 4
Exact Mass 364.02426
Monoisotopic Mass 364.02426
Heavy Atoms 23
Complexity 818.8875

Chemical Identifiers

CAS Number 53-83-8
SMILES C1=NC(=S)C2=C(N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O

Product Overview

6-Thioinosinic acid (CAS 53-83-8), with molecular formula C10H13N4O7PS and molecular weight 364.02426 g/mol. IUPAC: [(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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