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5-m-Tolylamino-[1,3,4]thiadiazole-2-thiol
TL;DR: 5-m-Tolylamino-[1,3,4]thiadiazole-2-thiol (CAS 52779-56-3) 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-(3-methylanilino)-3H-1,3,4-thiadiazole-2-thione
Also Known As: 5-m-Tolylamino-[1,3,4]thiadiazole-2-thiol, 3,3 -Dichlorobenzophenone, 5-(3-methylanilino)-3H-1,3,4-thiadiazole-2-thione, 5-(3-toluidino)-1,3,4-thiadiazole-2-thiol, 5-(m-Tolylamino)-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 | 265.0 |
Chemical Identifiers
| CAS Number | 52779-56-3 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC2=NNC(=S)S2 |
| InChIKey | DRCBGFQZMQJJJL-UHFFFAOYSA-N |
Product Overview
5-m-Tolylamino-[1,3,4]thiadiazole-2-thiol (CAS 52779-56-3), with molecular formula C9H9N3S2 and molecular weight 223.02 g/mol. IUPAC: 5-(3-methylanilino)-3H-1,3,4-thiadiazole-2-thione.
Chemical Property Profile of 5-m-Tolylamino-[1,3,4]thiadiazole-2-thiol
Property Insights of 5-m-Tolylamino-[1,3,4]thiadiazole-2-thiol
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-m-Tolylamino-[1,3,4]thiadiazole-2-thiol. The TPSA of 93.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-m-Tolylamino-[1,3,4]thiadiazole-2-thiol. Following Lipinski's Rule of Five, 5-m-Tolylamino-[1,3,4]thiadiazole-2-thiol 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-m-Tolylamino-[1,3,4]thiadiazole-2-thiol?
The CAS number of 5-m-Tolylamino-[1,3,4]thiadiazole-2-thiol is 52779-56-3.
What is the molecular formula of 5-m-Tolylamino-[1,3,4]thiadiazole-2-thiol?
The molecular formula of 5-m-Tolylamino-[1,3,4]thiadiazole-2-thiol is C9H9N3S2.
What is the molecular weight of 5-m-Tolylamino-[1,3,4]thiadiazole-2-thiol?
The molecular weight of 5-m-Tolylamino-[1,3,4]thiadiazole-2-thiol is 223.02 g/mol.
Where can I buy 5-m-Tolylamino-[1,3,4]thiadiazole-2-thiol?
You can request a quote for 5-m-Tolylamino-[1,3,4]thiadiazole-2-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-m-Tolylamino-[1,3,4]thiadiazole-2-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-m-Tolylamino-[1,3,4]thiadiazole-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.