4-Phenyl-1,3,4-thiadiazol-4-ium-2-thiolate
TL;DR: 4-Phenyl-1,3,4-thiadiazol-4-ium-2-thiolate (CAS 17076-18-5) is a chemical compound with molecular formula C8H6N2S2 and molecular weight 194.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-phenyl-1,3,4-thiadiazol-4-ium-2-thiolate
Also Known As: 4-phenyl-1,3,4-thiadiazol-4-ium-2-thiolate, 4-phenyl-1-thia-3-aza-4-azoniacyclopenta-2,4-diene-2-thiolate
| Molecular Formula | C8H6N2S2 |
|---|---|
| Molecular Weight | 194.00 g/mol |
| LogP | 1.3256 |
| Topological Polar Surface Area | 16.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 193.99724 |
| Heavy Atoms | 12 |
| Complexity | 369.5567 |
Chemical Identifiers
| CAS Number | 17076-18-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)[N+]2=CSC(=N2)[S-] |
Product Overview
4-Phenyl-1,3,4-thiadiazol-4-ium-2-thiolate (CAS 17076-18-5), with molecular formula C8H6N2S2 and molecular weight 194.00 g/mol. IUPAC: 4-phenyl-1,3,4-thiadiazol-4-ium-2-thiolate.
Chemical Property Profile of 4-Phenyl-1,3,4-thiadiazol-4-ium-2-thiolate
Property Insights of 4-Phenyl-1,3,4-thiadiazol-4-ium-2-thiolate
The XLogP value of 1.3256 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Phenyl-1,3,4-thiadiazol-4-ium-2-thiolate. With a topological polar surface area (TPSA) of 16.77 Ų, 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, 4-Phenyl-1,3,4-thiadiazol-4-ium-2-thiolate has 0 hydrogen bond donor(s) and 3 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 4-Phenyl-1,3,4-thiadiazol-4-ium-2-thiolate?
The CAS number of 4-Phenyl-1,3,4-thiadiazol-4-ium-2-thiolate is 17076-18-5.
What is the molecular formula of 4-Phenyl-1,3,4-thiadiazol-4-ium-2-thiolate?
The molecular formula of 4-Phenyl-1,3,4-thiadiazol-4-ium-2-thiolate is C8H6N2S2.
What is the molecular weight of 4-Phenyl-1,3,4-thiadiazol-4-ium-2-thiolate?
The molecular weight of 4-Phenyl-1,3,4-thiadiazol-4-ium-2-thiolate is 194.00 g/mol.
Where can I buy 4-Phenyl-1,3,4-thiadiazol-4-ium-2-thiolate?
You can request a quote for 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 4-Phenyl-1,3,4-thiadiazol-4-ium-2-thiolate?
Yes, KEHONG BIO provides custom synthesis services for 4-Phenyl-1,3,4-thiadiazol-4-ium-2-thiolate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.