5-Methyl-4-phenyl-1,3,4-thiadiazol-4-ium-2-thiolate
TL;DR: 5-Methyl-4-phenyl-1,3,4-thiadiazol-4-ium-2-thiolate (CAS 16152-18-4) is a chemical compound with molecular formula C9H8N2S2 and molecular weight 208.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-4-phenyl-1,3,4-thiadiazol-4-ium-2-thiolate
Also Known As: 5-methyl-4-phenyl-1,3,4-thiadiazol-4-ium-2-thiolate, 2-Methyl-3-phenyl-1,3,4-thiadiazol-3-ium-5-thiolate, 5-methyl-4-phenyl-1-thia-3-aza-4-azoniacyclopenta-2,4-diene-2-thiolate, 5-Methyl-4-phenyl-2-thioxo-2,3-dihydro-[1,3,4]thiadiazolium-betain, RefChem:304189
| Molecular Formula | C9H8N2S2 |
|---|---|
| Molecular Weight | 208.01 g/mol |
| LogP | 1.63402 |
| Topological Polar Surface Area | 16.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 208.0129 |
| Heavy Atoms | 13 |
| Complexity | 408.80798 |
Chemical Identifiers
| CAS Number | 16152-18-4 |
|---|---|
| SMILES | CC1=[N+](N=C(S1)[S-])C2=CC=CC=C2 |
Product Overview
5-Methyl-4-phenyl-1,3,4-thiadiazol-4-ium-2-thiolate (CAS 16152-18-4), with molecular formula C9H8N2S2 and molecular weight 208.01 g/mol. IUPAC: 5-methyl-4-phenyl-1,3,4-thiadiazol-4-ium-2-thiolate.
Chemical Property Profile of 5-Methyl-4-phenyl-1,3,4-thiadiazol-4-ium-2-thiolate
Property Insights of 5-Methyl-4-phenyl-1,3,4-thiadiazol-4-ium-2-thiolate
The XLogP value of 1.63402 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methyl-4-phenyl-1,3,4-thiadiazol-4-ium-2-thiolate. With a topological polar surface area (TPSA) of 16.77 Ų, 5-Methyl-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-Methyl-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 5-Methyl-4-phenyl-1,3,4-thiadiazol-4-ium-2-thiolate?
The CAS number of 5-Methyl-4-phenyl-1,3,4-thiadiazol-4-ium-2-thiolate is 16152-18-4.
What is the molecular formula of 5-Methyl-4-phenyl-1,3,4-thiadiazol-4-ium-2-thiolate?
The molecular formula of 5-Methyl-4-phenyl-1,3,4-thiadiazol-4-ium-2-thiolate is C9H8N2S2.
What is the molecular weight of 5-Methyl-4-phenyl-1,3,4-thiadiazol-4-ium-2-thiolate?
The molecular weight of 5-Methyl-4-phenyl-1,3,4-thiadiazol-4-ium-2-thiolate is 208.01 g/mol.
Where can I buy 5-Methyl-4-phenyl-1,3,4-thiadiazol-4-ium-2-thiolate?
You can request a quote for 5-Methyl-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-Methyl-4-phenyl-1,3,4-thiadiazol-4-ium-2-thiolate?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-4-phenyl-1,3,4-thiadiazol-4-ium-2-thiolate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.