3-(4-Methylphenyl)thiadiazol-3-ium-4-olate
TL;DR: 3-(4-Methylphenyl)thiadiazol-3-ium-4-olate (CAS 21988-82-9) is a chemical compound with molecular formula C9H8N2OS and molecular weight 192.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methylphenyl)-1λ4-thia-2,3-diazacyclopenta-1,5-dien-4-one
Also Known As: 3-(4-methylphenyl)thiadiazol-3-ium-4-olate, ASN 13119962, 3-(4-methylphenyl)-1,2,3-thiadiazol-3-ium-4-olate, 3-(4-METHYLPHENYL)-1,2,3??-THIADIAZOL-3-YLIUM-4-OLATE
| Molecular Formula | C9H8N2OS |
|---|---|
| Molecular Weight | 192.04 g/mol |
| LogP | 1.32502 |
| Topological Polar Surface Area | 32.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 192.03574 |
| Heavy Atoms | 13 |
| Complexity | 404.1278 |
Chemical Identifiers
| CAS Number | 21988-82-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C=S=N2 |
Product Overview
3-(4-Methylphenyl)thiadiazol-3-ium-4-olate (CAS 21988-82-9), with molecular formula C9H8N2OS and molecular weight 192.04 g/mol. IUPAC: 3-(4-methylphenyl)-1λ4-thia-2,3-diazacyclopenta-1,5-dien-4-one.
Chemical Property Profile of 3-(4-Methylphenyl)thiadiazol-3-ium-4-olate
Property Insights of 3-(4-Methylphenyl)thiadiazol-3-ium-4-olate
The XLogP value of 1.32502 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Methylphenyl)thiadiazol-3-ium-4-olate. With a topological polar surface area (TPSA) of 32.67 Ų, 3-(4-Methylphenyl)thiadiazol-3-ium-4-olate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Methylphenyl)thiadiazol-3-ium-4-olate has 0 hydrogen bond donor(s) and 2 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 3-(4-Methylphenyl)thiadiazol-3-ium-4-olate?
The CAS number of 3-(4-Methylphenyl)thiadiazol-3-ium-4-olate is 21988-82-9.
What is the molecular formula of 3-(4-Methylphenyl)thiadiazol-3-ium-4-olate?
The molecular formula of 3-(4-Methylphenyl)thiadiazol-3-ium-4-olate is C9H8N2OS.
What is the molecular weight of 3-(4-Methylphenyl)thiadiazol-3-ium-4-olate?
The molecular weight of 3-(4-Methylphenyl)thiadiazol-3-ium-4-olate is 192.04 g/mol.
Where can I buy 3-(4-Methylphenyl)thiadiazol-3-ium-4-olate?
You can request a quote for 3-(4-Methylphenyl)thiadiazol-3-ium-4-olate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Methylphenyl)thiadiazol-3-ium-4-olate?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Methylphenyl)thiadiazol-3-ium-4-olate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.