S-(5-methyl-1,3,4-thiadiazol-2-yl) 3-nitrobenzenecarbothioate
TL;DR: S-(5-methyl-1,3,4-thiadiazol-2-yl) 3-nitrobenzenecarbothioate (CAS 353258-54-5) is a chemical compound with molecular formula C10H7N3O3S2 and molecular weight 280.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(5-methyl-1,3,4-thiadiazol-2-yl) 3-nitrobenzenecarbothioate
Also Known As: S-(5-methyl-1,3,4-thiadiazol-2-yl) 3-nitrobenzenecarbothioate, AI-204/31711057
| Molecular Formula | C10H7N3O3S2 |
|---|---|
| Molecular Weight | 280.99 g/mol |
| LogP | 2.68722 |
| Topological Polar Surface Area | 85.99 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 280.9929 |
| Heavy Atoms | 18 |
| Complexity | 611.9203 |
Chemical Identifiers
| CAS Number | 353258-54-5 |
|---|---|
| SMILES | CC1=NN=C(S1)SC(=O)C2=CC(=CC=C2)[N+](=O)[O-] |
Product Overview
S-(5-methyl-1,3,4-thiadiazol-2-yl) 3-nitrobenzenecarbothioate (CAS 353258-54-5), with molecular formula C10H7N3O3S2 and molecular weight 280.99 g/mol. IUPAC: S-(5-methyl-1,3,4-thiadiazol-2-yl) 3-nitrobenzenecarbothioate.
Chemical Property Profile of S-(5-methyl-1,3,4-thiadiazol-2-yl) 3-nitrobenzenecarbothioate
Property Insights of S-(5-methyl-1,3,4-thiadiazol-2-yl) 3-nitrobenzenecarbothioate
The XLogP value of 2.68722 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-(5-methyl-1,3,4-thiadiazol-2-yl) 3-nitrobenzenecarbothioate. The TPSA of 85.99 Ų falls within the moderate polarity range, balancing permeability and solubility for S-(5-methyl-1,3,4-thiadiazol-2-yl) 3-nitrobenzenecarbothioate. Following Lipinski's Rule of Five, S-(5-methyl-1,3,4-thiadiazol-2-yl) 3-nitrobenzenecarbothioate has 0 hydrogen bond donor(s) and 7 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 S-(5-methyl-1,3,4-thiadiazol-2-yl) 3-nitrobenzenecarbothioate?
The CAS number of S-(5-methyl-1,3,4-thiadiazol-2-yl) 3-nitrobenzenecarbothioate is 353258-54-5.
What is the molecular formula of S-(5-methyl-1,3,4-thiadiazol-2-yl) 3-nitrobenzenecarbothioate?
The molecular formula of S-(5-methyl-1,3,4-thiadiazol-2-yl) 3-nitrobenzenecarbothioate is C10H7N3O3S2.
What is the molecular weight of S-(5-methyl-1,3,4-thiadiazol-2-yl) 3-nitrobenzenecarbothioate?
The molecular weight of S-(5-methyl-1,3,4-thiadiazol-2-yl) 3-nitrobenzenecarbothioate is 280.99 g/mol.
Where can I buy S-(5-methyl-1,3,4-thiadiazol-2-yl) 3-nitrobenzenecarbothioate?
You can request a quote for S-(5-methyl-1,3,4-thiadiazol-2-yl) 3-nitrobenzenecarbothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(5-methyl-1,3,4-thiadiazol-2-yl) 3-nitrobenzenecarbothioate?
Yes, KEHONG BIO provides custom synthesis services for S-(5-methyl-1,3,4-thiadiazol-2-yl) 3-nitrobenzenecarbothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.