4-Phenyl-1,2,3-thiadiazole
TL;DR: 4-Phenyl-1,2,3-thiadiazole (CAS 25445-77-6) is a chemical compound with molecular formula C8H6N2S and molecular weight 162.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-phenylthiadiazole
Also Known As: 4-Phenyl-1,2,3-thiadiazole, 4-phenylthiadiazole, phenyl-thiadiazole, phenyl-thiadi-azole, 4-Phenyl-[1,2,3]thiadiazole
| Molecular Formula | C8H6N2S |
|---|---|
| Molecular Weight | 162.03 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 162.02516 |
| Heavy Atoms | 11 |
| Complexity | 123.0 |
Chemical Identifiers
| CAS Number | 25445-77-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CSN=N2 |
| InChIKey | AWPNFXRMNNPKDW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Phenyl-1,2,3-thiadiazole (CAS 25445-77-6), with molecular formula C8H6N2S and molecular weight 162.03 g/mol. IUPAC: 4-phenylthiadiazole.
Chemical Property Profile of 4-Phenyl-1,2,3-thiadiazole
Property Insights of 4-Phenyl-1,2,3-thiadiazole
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Phenyl-1,2,3-thiadiazole. With a topological polar surface area (TPSA) of 54.0 Ų, 4-Phenyl-1,2,3-thiadiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Phenyl-1,2,3-thiadiazole 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-1,2,3-thiadiazole?
The CAS number of 4-Phenyl-1,2,3-thiadiazole is 25445-77-6.
What is the molecular formula of 4-Phenyl-1,2,3-thiadiazole?
The molecular formula of 4-Phenyl-1,2,3-thiadiazole is C8H6N2S.
What is the molecular weight of 4-Phenyl-1,2,3-thiadiazole?
The molecular weight of 4-Phenyl-1,2,3-thiadiazole is 162.03 g/mol.
Where can I buy 4-Phenyl-1,2,3-thiadiazole?
You can request a quote for 4-Phenyl-1,2,3-thiadiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Phenyl-1,2,3-thiadiazole?
Yes, KEHONG BIO provides custom synthesis services for 4-Phenyl-1,2,3-thiadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.