5-((4-Methylphenyl)amino)-1,3,4-thiadiazole-2(3H)-thione
TL;DR: 5-((4-Methylphenyl)amino)-1,3,4-thiadiazole-2(3H)-thione (CAS 14772-95-3) is a chemical compound with molecular formula C9H9N3S2 and molecular weight 223.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-methylanilino)-3H-1,3,4-thiadiazole-2-thione
Also Known As: 5-p-Tolylamino-[1,3,4]thiadiazole-2-thiol, 5-[(4-methylphenyl)amino]-1,3,4-thiadiazole-2-thiol, 5-(p-Tolylamino)-1,3,4-thiadiazole-2-thiol, 5-(4-methylanilino)-3H-1,3,4-thiadiazole-2-thione, 5-(4-toluidino)-1,3,4-thiadiazole-2-thiol
| Molecular Formula | C9H9N3S2 |
|---|---|
| Molecular Weight | 223.02 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 93.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 223.02379 |
| Heavy Atoms | 14 |
| Complexity | 257.0 |
Chemical Identifiers
| CAS Number | 14772-95-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC2=NNC(=S)S2 |
| InChIKey | UDHJCFUNVNFOLP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-((4-Methylphenyl)amino)-1,3,4-thiadiazole-2(3H)-thione (CAS 14772-95-3), with molecular formula C9H9N3S2 and molecular weight 223.02 g/mol. IUPAC: 5-(4-methylanilino)-3H-1,3,4-thiadiazole-2-thione.
Chemical Property Profile of 5-((4-Methylphenyl)amino)-1,3,4-thiadiazole-2(3H)-thione
Property Insights of 5-((4-Methylphenyl)amino)-1,3,4-thiadiazole-2(3H)-thione
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-((4-Methylphenyl)amino)-1,3,4-thiadiazole-2(3H)-thione. The TPSA of 93.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-((4-Methylphenyl)amino)-1,3,4-thiadiazole-2(3H)-thione. Following Lipinski's Rule of Five, 5-((4-Methylphenyl)amino)-1,3,4-thiadiazole-2(3H)-thione has 2 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-((4-Methylphenyl)amino)-1,3,4-thiadiazole-2(3H)-thione?
The CAS number of 5-((4-Methylphenyl)amino)-1,3,4-thiadiazole-2(3H)-thione is 14772-95-3.
What is the molecular formula of 5-((4-Methylphenyl)amino)-1,3,4-thiadiazole-2(3H)-thione?
The molecular formula of 5-((4-Methylphenyl)amino)-1,3,4-thiadiazole-2(3H)-thione is C9H9N3S2.
What is the molecular weight of 5-((4-Methylphenyl)amino)-1,3,4-thiadiazole-2(3H)-thione?
The molecular weight of 5-((4-Methylphenyl)amino)-1,3,4-thiadiazole-2(3H)-thione is 223.02 g/mol.
Where can I buy 5-((4-Methylphenyl)amino)-1,3,4-thiadiazole-2(3H)-thione?
You can request a quote for 5-((4-Methylphenyl)amino)-1,3,4-thiadiazole-2(3H)-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-((4-Methylphenyl)amino)-1,3,4-thiadiazole-2(3H)-thione?
Yes, KEHONG BIO provides custom synthesis services for 5-((4-Methylphenyl)amino)-1,3,4-thiadiazole-2(3H)-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.