Thiamin propyl disulfide
TL;DR: Thiamin propyl disulfide (CAS 1086824-76-1) is a chemical compound with molecular formula C15H24N4O2S2 and molecular weight 356.13406 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-N-[(E)-5-hydroxy-3-(propyldisulfanyl)pent-2-en-2-yl]formamide
Also Known As: prosultiamine, Alinamin, Prosulthiamine, Arinamine, Tiotiamina
Technical Specifications
| Molecular Formula | C15H24N4O2S2 |
| Molecular Weight | 356.13406 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 143.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 356.13406 Da |
| Heavy Atoms | 23 |
| Complexity | 396.0 |
| SMILES | CCCSS/C(=C(\C)/N(CC1=CN=C(N=C1N)C)C=O)/CCO |
| InChIKey | UDCIYVVYDCXLSX-SDNWHVSQSA-N |
Chemical Property Profile of Thiamin propyl disulfide
Property Insights of Thiamin propyl disulfide
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiamin propyl disulfide. The TPSA of 143.0 Ų indicates high polarity, suggesting Thiamin propyl disulfide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Thiamin propyl disulfide has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Thiamin propyl disulfide?
The CAS number of Thiamin propyl disulfide is 1086824-76-1.
What is the molecular formula of Thiamin propyl disulfide?
The molecular formula of Thiamin propyl disulfide is C15H24N4O2S2.
What is the molecular weight of Thiamin propyl disulfide?
The molecular weight of Thiamin propyl disulfide is 356.13406 g/mol.
Where can I buy Thiamin propyl disulfide?
You can request a quote for Thiamin propyl disulfide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Thiamin propyl disulfide?
Yes, CoreyChem provides custom synthesis services for Thiamin propyl disulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.