5-(4-Methoxyphenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-thiolate
TL;DR: 5-(4-Methoxyphenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-thiolate (CAS 34009-55-7) is a chemical compound with molecular formula C15H12N2OS2 and molecular weight 300.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-methoxyphenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-thiolate
Also Known As: 5-(4-Methoxyphenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-thiolate, 2-(4-Methoxyphenyl)-3-phenyl-1,3,4-thiadiazol-3-ium-5-thiolate, [2-(4-methoxyphenyl)-3-phenyl-1,3lambda5,4-thiadiazol-3-ylium-5-yl]sulfanide, 1,3,4-Thiadiazolidine-2-thione, 5-(p-methoxyphenyl)-4-phenyl-, meso-ionic didehydro deriv., 1,3,4-Thiadiazolium, 5-mercapto-2-(4-methoxyphenyl)-3-phenyl-, hydroxide, inner salt
| Molecular Formula | C15H12N2OS2 |
|---|---|
| Molecular Weight | 300.04 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 55.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 300.0391 |
| Heavy Atoms | 20 |
| Complexity | 304.0 |
Chemical Identifiers
| CAS Number | 34009-55-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=[N+](N=C(S2)[S-])C3=CC=CC=C3 |
| InChIKey | ANPINPKSOFIZAT-UHFFFAOYSA-N |
Product Overview
5-(4-Methoxyphenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-thiolate (CAS 34009-55-7), with molecular formula C15H12N2OS2 and molecular weight 300.04 g/mol. IUPAC: 5-(4-methoxyphenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-thiolate.
Chemical Property Profile of 5-(4-Methoxyphenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-thiolate
Property Insights of 5-(4-Methoxyphenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-thiolate
The XLogP value of 4.9 indicates that 5-(4-Methoxyphenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-thiolate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.2 Ų, 5-(4-Methoxyphenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-thiolate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(4-Methoxyphenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-thiolate 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 5-(4-Methoxyphenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-thiolate?
The CAS number of 5-(4-Methoxyphenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-thiolate is 34009-55-7.
What is the molecular formula of 5-(4-Methoxyphenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-thiolate?
The molecular formula of 5-(4-Methoxyphenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-thiolate is C15H12N2OS2.
What is the molecular weight of 5-(4-Methoxyphenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-thiolate?
The molecular weight of 5-(4-Methoxyphenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-thiolate is 300.04 g/mol.
Where can I buy 5-(4-Methoxyphenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-thiolate?
You can request a quote for 5-(4-Methoxyphenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-thiolate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-Methoxyphenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-thiolate?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-Methoxyphenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-thiolate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.