5-Anilino-1,2,3,4-thiatriazole
TL;DR: 5-Anilino-1,2,3,4-thiatriazole (CAS 13078-30-3) is a chemical compound with molecular formula C7H6N4S and molecular weight 178.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-phenylthiatriazol-5-amine
Also Known As: 5-Anilino-1,2,3,4-thiatriazole, N-Phenyl-1,2,3,4-thiatriazol-5-amine, N-phenylthiatriazol-5-amine, 5-(Phenylamino)thiatriazole, 5-phenylaminothiatriazole
| Molecular Formula | C7H6N4S |
|---|---|
| Molecular Weight | 178.03 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 178.03131 |
| Heavy Atoms | 12 |
| Complexity | 137.0 |
Chemical Identifiers
| CAS Number | 13078-30-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC2=NN=NS2 |
| InChIKey | WBIAWXNTQCZGMO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Anilino-1,2,3,4-thiatriazole (CAS 13078-30-3), with molecular formula C7H6N4S and molecular weight 178.03 g/mol. IUPAC: N-phenylthiatriazol-5-amine.
Chemical Property Profile of 5-Anilino-1,2,3,4-thiatriazole
Property Insights of 5-Anilino-1,2,3,4-thiatriazole
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Anilino-1,2,3,4-thiatriazole. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Anilino-1,2,3,4-thiatriazole. Following Lipinski's Rule of Five, 5-Anilino-1,2,3,4-thiatriazole has 1 hydrogen bond donor(s) and 5 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-Anilino-1,2,3,4-thiatriazole?
The CAS number of 5-Anilino-1,2,3,4-thiatriazole is 13078-30-3.
What is the molecular formula of 5-Anilino-1,2,3,4-thiatriazole?
The molecular formula of 5-Anilino-1,2,3,4-thiatriazole is C7H6N4S.
What is the molecular weight of 5-Anilino-1,2,3,4-thiatriazole?
The molecular weight of 5-Anilino-1,2,3,4-thiatriazole is 178.03 g/mol.
Where can I buy 5-Anilino-1,2,3,4-thiatriazole?
You can request a quote for 5-Anilino-1,2,3,4-thiatriazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Anilino-1,2,3,4-thiatriazole?
Yes, KEHONG BIO provides custom synthesis services for 5-Anilino-1,2,3,4-thiatriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.