Allithiamine
N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-N-[5-hydroxy-3-(prop-2-enyldisulfanyl)pent-2-en-2-yl]formamide
Also Known As: Allithiamine|N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-N-[(Z)-5-hydroxy-3-(prop-2-enyldisulfanyl)pent-2-en-2-yl]formamide|N-[(4-Amino-2-methylpyrimidin-5-yl)methyl]-N-{5-hydroxy-3-[(prop-2-en-1-yl)disulfanyl]pent-2-en-2-yl}formamide
CAS: 554-44-9
| Molecular Formula | C15H22N4O2S2 |
|---|---|
| Molecular Weight | 354.1184 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 143.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 354.1184 |
| Monoisotopic Mass | 354.1184 |
| Heavy Atoms | 23 |
| Complexity | 420.0 |
Chemical Identifiers
| CAS Number | 554-44-9 |
|---|---|
| SMILES | CC1=NC=C(C(=N1)N)CN(C=O)C(=C(CCO)SSCC=C)C |
| InChIKey | WNCAVNGLACHSRZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Heterocyclic Building Blocks (5 patents)
Organic Building Blocks (4 patents)
Pharmaceutical Intermediates (4 patents)
Product Overview
Allithiamine (CAS 554-44-9), with molecular formula C15H22N4O2S2 and molecular weight 354.1184 g/mol. IUPAC: N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-N-[5-hydroxy-3-(prop-2-enyldisulfanyl)pent-2-en-2-yl]formamide.
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.
View MSDS →
Frequently Asked Questions
What is the typical lead time for this product?
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What documentation do you provide with the product?
We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.
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