硝酸硫胺
TL;DR: 硝酸硫胺 (CAS 532-43-4) is a chemical compound with molecular formula C12H17N5O4S and molecular weight 327.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
硝酸硫胺
2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol nitrate
Also Known As: thiamine nitrate, THIAMINE MONONITRATE, Vitamin B1 nitrate, Aneurine mononitrate, Vitamin B1 mononitrate
| Molecular Formula | C12H17N5O4S |
|---|---|
| Molecular Weight | 327.10 g/mol |
| LogP | 0.37 |
| Topological Polar Surface Area | 167.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 327.10013 |
| Heavy Atoms | 22 |
| Complexity | 287.0 |
Chemical Identifiers
| CAS Number | 532-43-4 |
|---|---|
| SMILES | CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.[N+](=O)([O-])[O-] |
| InChIKey | UIERGBJEBXXIGO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
硝酸硫胺 (CAS 532-43-4), with molecular formula C12H17N5O4S and molecular weight 327.10 g/mol. IUPAC: 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol nitrate.
Chemical Property Profile of 硝酸硫胺
Property Insights of 硝酸硫胺
The XLogP value of 0.37 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 硝酸硫胺. The TPSA of 167.0 Ų indicates high polarity, suggesting 硝酸硫胺 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 硝酸硫胺 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 硝酸硫胺?
The CAS number of 硝酸硫胺 is 532-43-4.
What is the molecular formula of 硝酸硫胺?
The molecular formula of 硝酸硫胺 is C12H17N5O4S.
What is the molecular weight of 硝酸硫胺?
The molecular weight of 硝酸硫胺 is 327.10 g/mol.
Where can I buy 硝酸硫胺?
You can request a quote for 硝酸硫胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 硝酸硫胺?
Yes, KEHONG BIO provides custom synthesis services for 硝酸硫胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.