硫胺
TL;DR: 硫胺 (CAS 70-16-6) is a chemical compound with molecular formula C12H17N4OS+ and molecular weight 265.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
硫胺
2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol
Also Known As: thiamine, thiamin, vitamin B1, Aneurin, Betaxin
| Molecular Formula | C12H17N4OS+ |
|---|---|
| Molecular Weight | 265.11 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 265.1123 |
| Heavy Atoms | 18 |
| Complexity | 268.0 |
| Melting Point | 248 |
| Solubility | 500000 |
Chemical Identifiers
| CAS Number | 70-16-6 |
|---|---|
| SMILES | CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO |
| InChIKey | JZRWCGZRTZMZEH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
硫胺 (CAS 70-16-6), with molecular formula C12H17N4OS+ and molecular weight 265.11 g/mol. IUPAC: 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol.
Chemical Property Profile of 硫胺
Property Insights of 硫胺
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 硫胺. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 硫胺. Following Lipinski's Rule of Five, 硫胺 has 2 hydrogen bond donor(s) and 5 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 硫胺?
The CAS number of 硫胺 is 70-16-6.
What is the molecular formula of 硫胺?
The molecular formula of 硫胺 is C12H17N4OS+.
What is the molecular weight of 硫胺?
The molecular weight of 硫胺 is 265.11 g/mol.
Where can I buy 硫胺?
You can request a quote for 硫胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 硫胺?
Yes, KEHONG BIO provides custom synthesis services for 硫胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.