![N-[(5-chloro-2,1,3-benzothiadiazol-4-yl)carbamothioyl]-2-methylpropanamide structure](/static/products/899/899396-98-6.png)
N-[(5-chloro-2,1,3-benzothiadiazol-4-yl)carbamothioyl]-2-methylpropanamide
TL;DR: N-[(5-chloro-2,1,3-benzothiadiazol-4-yl)carbamothioyl]-2-methylpropanamide (CAS 899396-98-6) is a chemical compound with molecular formula C11H11ClN4OS2 and molecular weight 314.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(5-chloro-2,1,3-benzothiadiazol-4-yl)carbamothioyl]-2-methylpropanamide
Also Known As: N-[(5-chloro-2,1,3-benzothiadiazol-4-yl)carbamothioyl]-2-methylpropanamide, 1-(5-Chloro-benzo[1,2,5]thiadiazol-4-yl)-3-isobutyryl-thiourea, N-((5-chlorobenzo[c][1,2,5]thiadiazol-4-yl)carbamothioyl)isobutyramide
| Molecular Formula | C11H11ClN4OS2 |
|---|---|
| Molecular Weight | 314.01 g/mol |
| LogP | 2.8137 |
| Topological Polar Surface Area | 66.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 314.0063 |
| Heavy Atoms | 19 |
| Complexity | 640.6569 |
Chemical Identifiers
| CAS Number | 899396-98-6 |
|---|---|
| SMILES | CC(C)C(=O)NC(=S)NC1=C(C=CC2=NSN=C21)Cl |
Product Overview
N-[(5-chloro-2,1,3-benzothiadiazol-4-yl)carbamothioyl]-2-methylpropanamide (CAS 899396-98-6), with molecular formula C11H11ClN4OS2 and molecular weight 314.01 g/mol. IUPAC: N-[(5-chloro-2,1,3-benzothiadiazol-4-yl)carbamothioyl]-2-methylpropanamide.
Chemical Property Profile of N-[(5-chloro-2,1,3-benzothiadiazol-4-yl)carbamothioyl]-2-methylpropanamide
Property Insights of N-[(5-chloro-2,1,3-benzothiadiazol-4-yl)carbamothioyl]-2-methylpropanamide
The XLogP value of 2.8137 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(5-chloro-2,1,3-benzothiadiazol-4-yl)carbamothioyl]-2-methylpropanamide. The TPSA of 66.91 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(5-chloro-2,1,3-benzothiadiazol-4-yl)carbamothioyl]-2-methylpropanamide. Following Lipinski's Rule of Five, N-[(5-chloro-2,1,3-benzothiadiazol-4-yl)carbamothioyl]-2-methylpropanamide has 2 hydrogen bond donor(s) and 5 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 N-[(5-chloro-2,1,3-benzothiadiazol-4-yl)carbamothioyl]-2-methylpropanamide?
The CAS number of N-[(5-chloro-2,1,3-benzothiadiazol-4-yl)carbamothioyl]-2-methylpropanamide is 899396-98-6.
What is the molecular formula of N-[(5-chloro-2,1,3-benzothiadiazol-4-yl)carbamothioyl]-2-methylpropanamide?
The molecular formula of N-[(5-chloro-2,1,3-benzothiadiazol-4-yl)carbamothioyl]-2-methylpropanamide is C11H11ClN4OS2.
What is the molecular weight of N-[(5-chloro-2,1,3-benzothiadiazol-4-yl)carbamothioyl]-2-methylpropanamide?
The molecular weight of N-[(5-chloro-2,1,3-benzothiadiazol-4-yl)carbamothioyl]-2-methylpropanamide is 314.01 g/mol.
Where can I buy N-[(5-chloro-2,1,3-benzothiadiazol-4-yl)carbamothioyl]-2-methylpropanamide?
You can request a quote for N-[(5-chloro-2,1,3-benzothiadiazol-4-yl)carbamothioyl]-2-methylpropanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(5-chloro-2,1,3-benzothiadiazol-4-yl)carbamothioyl]-2-methylpropanamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(5-chloro-2,1,3-benzothiadiazol-4-yl)carbamothioyl]-2-methylpropanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.