双吡硫翁
TL;DR: 双吡硫翁 (CAS 3696-28-4) is a chemical compound with molecular formula C10H8N2O2S2 and molecular weight 252.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
双吡硫翁
1-oxido-2-[(1-oxidopyridin-1-ium-2-yl)disulfanyl]pyridin-1-ium
Also Known As: dipyrithione, Bispyrithione, Omadine disulfide, Dipiritiona, OMDS
| Molecular Formula | C10H8N2O2S2 |
|---|---|
| Molecular Weight | 252.00 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 252.00272 |
| Heavy Atoms | 16 |
| Complexity | 199.0 |
| Melting Point | 205 |
| Boiling Point | 582.8 |
Chemical Identifiers
| CAS Number | 3696-28-4 |
|---|---|
| SMILES | C1=CC=[N+](C(=C1)SSC2=CC=CC=[N+]2[O-])[O-] |
| InChIKey | ZHDBTKPXEJDTTQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
双吡硫翁 (CAS 3696-28-4), with molecular formula C10H8N2O2S2 and molecular weight 252.00 g/mol. IUPAC: 1-oxido-2-[(1-oxidopyridin-1-ium-2-yl)disulfanyl]pyridin-1-ium.
Chemical Property Profile of 双吡硫翁
Property Insights of 双吡硫翁
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 双吡硫翁. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 双吡硫翁. Following Lipinski's Rule of Five, 双吡硫翁 has 0 hydrogen bond donor(s) and 4 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 双吡硫翁?
The CAS number of 双吡硫翁 is 3696-28-4.
What is the molecular formula of 双吡硫翁?
The molecular formula of 双吡硫翁 is C10H8N2O2S2.
What is the molecular weight of 双吡硫翁?
The molecular weight of 双吡硫翁 is 252.00 g/mol.
Where can I buy 双吡硫翁?
You can request a quote for 双吡硫翁 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 双吡硫翁?
Yes, KEHONG BIO provides custom synthesis services for 双吡硫翁 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.