4-Phenyl-5-propan-2-yl-1,3,4-thiadiazol-4-ium-2-thiolate
TL;DR: 4-Phenyl-5-propan-2-yl-1,3,4-thiadiazol-4-ium-2-thiolate (CAS 18266-72-3) is a chemical compound with molecular formula C11H12N2S2 and molecular weight 236.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-phenyl-5-propan-2-yl-1,3,4-thiadiazol-4-ium-2-thiolate
Also Known As: 4-phenyl-5-propan-2-yl-1,3,4-thiadiazol-4-ium-2-thiolate, 3-Phenyl-2-(propan-2-yl)-1,3,4-thiadiazol-3-ium-5-thiolate, 4-phenyl-5-propan-2-yl-1-thia-3-aza-4-azoniacyclopenta-2,4-diene-2-thiolate
| Molecular Formula | C11H12N2S2 |
|---|---|
| Molecular Weight | 236.04 g/mol |
| LogP | 2.449 |
| Topological Polar Surface Area | 16.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 236.04419 |
| Heavy Atoms | 15 |
| Complexity | 448.86642 |
Chemical Identifiers
| CAS Number | 18266-72-3 |
|---|---|
| SMILES | CC(C)C1=[N+](N=C(S1)[S-])C2=CC=CC=C2 |
Product Overview
4-Phenyl-5-propan-2-yl-1,3,4-thiadiazol-4-ium-2-thiolate (CAS 18266-72-3), with molecular formula C11H12N2S2 and molecular weight 236.04 g/mol. IUPAC: 4-phenyl-5-propan-2-yl-1,3,4-thiadiazol-4-ium-2-thiolate.
Chemical Property Profile of 4-Phenyl-5-propan-2-yl-1,3,4-thiadiazol-4-ium-2-thiolate
Property Insights of 4-Phenyl-5-propan-2-yl-1,3,4-thiadiazol-4-ium-2-thiolate
The XLogP value of 2.449 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Phenyl-5-propan-2-yl-1,3,4-thiadiazol-4-ium-2-thiolate. With a topological polar surface area (TPSA) of 16.77 Ų, 4-Phenyl-5-propan-2-yl-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-5-propan-2-yl-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-5-propan-2-yl-1,3,4-thiadiazol-4-ium-2-thiolate?
The CAS number of 4-Phenyl-5-propan-2-yl-1,3,4-thiadiazol-4-ium-2-thiolate is 18266-72-3.
What is the molecular formula of 4-Phenyl-5-propan-2-yl-1,3,4-thiadiazol-4-ium-2-thiolate?
The molecular formula of 4-Phenyl-5-propan-2-yl-1,3,4-thiadiazol-4-ium-2-thiolate is C11H12N2S2.
What is the molecular weight of 4-Phenyl-5-propan-2-yl-1,3,4-thiadiazol-4-ium-2-thiolate?
The molecular weight of 4-Phenyl-5-propan-2-yl-1,3,4-thiadiazol-4-ium-2-thiolate is 236.04 g/mol.
Where can I buy 4-Phenyl-5-propan-2-yl-1,3,4-thiadiazol-4-ium-2-thiolate?
You can request a quote for 4-Phenyl-5-propan-2-yl-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-5-propan-2-yl-1,3,4-thiadiazol-4-ium-2-thiolate?
Yes, KEHONG BIO provides custom synthesis services for 4-Phenyl-5-propan-2-yl-1,3,4-thiadiazol-4-ium-2-thiolate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.