![5-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)sulfanyl]-3-phenyl-1,3,4-thiadiazole-2(3H)-thione structure](/static/products/4614/461429-52-7.webp)
5-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)sulfanyl]-3-phenyl-1,3,4-thiadiazole-2(3H)-thione
TL;DR: 5-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)sulfanyl]-3-phenyl-1,3,4-thiadiazole-2(3H)-thione (CAS 461429-52-7) is a chemical compound with molecular formula C11H8N6O2S3 and molecular weight 351.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]-3-phenyl-1,3,4-thiadiazole-2-thione
Also Known As: 5-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)sulfanyl]-3-phenyl-1,3,4-thiadiazole-2(3H)-thione, 5-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)thio]-3-phenyl-1,3,4-thiadiazole-2(3H)-thione, 5-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]-3-phenyl-1,3,4-thiadiazole-2-thione, 5-[(1-METHYL-3-NITRO-1H-1,2,4-TRIAZOL-5-YL)SULFANYL]-3-PHENYL-2,3-DIHYDRO-1,3,4-THIADIAZOLE-2-THIONE
| Molecular Formula | C11H8N6O2S3 |
|---|---|
| Molecular Weight | 351.99 g/mol |
| LogP | 2.85119 |
| Topological Polar Surface Area | 91.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 351.9871 |
| Heavy Atoms | 22 |
| Complexity | 884.872 |
Chemical Identifiers
| CAS Number | 461429-52-7 |
|---|---|
| SMILES | CN1C(=NC(=N1)[N+](=O)[O-])SC2=NN(C(=S)S2)C3=CC=CC=C3 |
Product Overview
5-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)sulfanyl]-3-phenyl-1,3,4-thiadiazole-2(3H)-thione (CAS 461429-52-7), with molecular formula C11H8N6O2S3 and molecular weight 351.99 g/mol. IUPAC: 5-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]-3-phenyl-1,3,4-thiadiazole-2-thione.
Chemical Property Profile of 5-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)sulfanyl]-3-phenyl-1,3,4-thiadiazole-2(3H)-thione
Property Insights of 5-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)sulfanyl]-3-phenyl-1,3,4-thiadiazole-2(3H)-thione
The XLogP value of 2.85119 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)sulfanyl]-3-phenyl-1,3,4-thiadiazole-2(3H)-thione. The TPSA of 91.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)sulfanyl]-3-phenyl-1,3,4-thiadiazole-2(3H)-thione. Following Lipinski's Rule of Five, 5-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)sulfanyl]-3-phenyl-1,3,4-thiadiazole-2(3H)-thione has 0 hydrogen bond donor(s) and 8 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-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)sulfanyl]-3-phenyl-1,3,4-thiadiazole-2(3H)-thione?
The CAS number of 5-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)sulfanyl]-3-phenyl-1,3,4-thiadiazole-2(3H)-thione is 461429-52-7.
What is the molecular formula of 5-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)sulfanyl]-3-phenyl-1,3,4-thiadiazole-2(3H)-thione?
The molecular formula of 5-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)sulfanyl]-3-phenyl-1,3,4-thiadiazole-2(3H)-thione is C11H8N6O2S3.
What is the molecular weight of 5-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)sulfanyl]-3-phenyl-1,3,4-thiadiazole-2(3H)-thione?
The molecular weight of 5-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)sulfanyl]-3-phenyl-1,3,4-thiadiazole-2(3H)-thione is 351.99 g/mol.
Where can I buy 5-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)sulfanyl]-3-phenyl-1,3,4-thiadiazole-2(3H)-thione?
You can request a quote for 5-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)sulfanyl]-3-phenyl-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-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)sulfanyl]-3-phenyl-1,3,4-thiadiazole-2(3H)-thione?
Yes, KEHONG BIO provides custom synthesis services for 5-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)sulfanyl]-3-phenyl-1,3,4-thiadiazole-2(3H)-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.