![5-[(3-Chloro-2-methylphenyl)amino]-1,3,4-thiadiazole-2-thiol structure](/static/products/1165/116529-23-8.webp)
5-[(3-Chloro-2-methylphenyl)amino]-1,3,4-thiadiazole-2-thiol
TL;DR: 5-[(3-Chloro-2-methylphenyl)amino]-1,3,4-thiadiazole-2-thiol (CAS 116529-23-8) is a chemical compound with molecular formula C9H8ClN3S2 and molecular weight 256.9848 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(3-chloro-2-methylanilino)-3H-1,3,4-thiadiazole-2-thione
Also Known As: 5-[(3-chloro-2-methylphenyl)amino]-1,3,4-thiadiazole-2-thiol, AB00745831-01, 5-(3-chloro-2-methylanilino)-3H-1,3,4-thiadiazole-2-thione, 5-(3-chloro-2-methyl-anilino)-1,3,4-thiadiazole-2-thiol
Technical Specifications
| Molecular Formula | C9H8ClN3S2 |
| Molecular Weight | 256.9848 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 93.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 256.9848 Da |
| Heavy Atoms | 15 |
| Complexity | 295.0 |
| SMILES | CC1=C(C=CC=C1Cl)NC2=NNC(=S)S2 |
| InChIKey | GAKFSVUCXVAFRR-UHFFFAOYSA-N |
Chemical Property Profile of 5-[(3-Chloro-2-methylphenyl)amino]-1,3,4-thiadiazole-2-thiol
Property Insights of 5-[(3-Chloro-2-methylphenyl)amino]-1,3,4-thiadiazole-2-thiol
The XLogP value of 3.3 indicates that 5-[(3-Chloro-2-methylphenyl)amino]-1,3,4-thiadiazole-2-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[(3-Chloro-2-methylphenyl)amino]-1,3,4-thiadiazole-2-thiol. Following Lipinski's Rule of Five, 5-[(3-Chloro-2-methylphenyl)amino]-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
What is the CAS number of 5-[(3-Chloro-2-methylphenyl)amino]-1,3,4-thiadiazole-2-thiol?
The CAS number of 5-[(3-Chloro-2-methylphenyl)amino]-1,3,4-thiadiazole-2-thiol is 116529-23-8.
What is the molecular formula of 5-[(3-Chloro-2-methylphenyl)amino]-1,3,4-thiadiazole-2-thiol?
The molecular formula of 5-[(3-Chloro-2-methylphenyl)amino]-1,3,4-thiadiazole-2-thiol is C9H8ClN3S2.
What is the molecular weight of 5-[(3-Chloro-2-methylphenyl)amino]-1,3,4-thiadiazole-2-thiol?
The molecular weight of 5-[(3-Chloro-2-methylphenyl)amino]-1,3,4-thiadiazole-2-thiol is 256.9848 g/mol.
Where can I buy 5-[(3-Chloro-2-methylphenyl)amino]-1,3,4-thiadiazole-2-thiol?
You can request a quote for 5-[(3-Chloro-2-methylphenyl)amino]-1,3,4-thiadiazole-2-thiol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-[(3-Chloro-2-methylphenyl)amino]-1,3,4-thiadiazole-2-thiol?
Yes, CoreyChem provides custom synthesis services for 5-[(3-Chloro-2-methylphenyl)amino]-1,3,4-thiadiazole-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.