S-[(6-chloro-1,1-dioxo-4H-1
TL;DR: S-[(6-chloro-1,1-dioxo-4H-1 (CAS 87343-90-6) is a chemical compound with molecular formula C9H8ClN3O3S2 and molecular weight 304.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[(6-chloro-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)] N-methylcarbamothioate
Also Known As: S-[(6-chloro-1,1-dioxo-4H-1, Carbamothioic acid, methyl-, S-(6-chloro-1,1-dioxido-4H-1,2,4-benzothiadiazin-3-yl) ester, S-[(6-chloro-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)] N-m, 1-[(6-chloro-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-methylformamide, S-[(6-chloro-1,1-dioxo-4H-1$l^{6},2,4-benzothiadiazin-3-yl)] N-methylcarbamothioate
| Molecular Formula | C9H8ClN3O3S2 |
|---|---|
| Molecular Weight | 304.97 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 304.96957 |
| Heavy Atoms | 18 |
| Complexity | 474.0 |
Chemical Identifiers
| CAS Number | 87343-90-6 |
|---|---|
| SMILES | CNC(=O)SC1=NS(=O)(=O)C2=C(N1)C=C(C=C2)Cl |
| InChIKey | DRQXHQHCHLNAHB-UHFFFAOYSA-N |
Product Overview
S-[(6-chloro-1,1-dioxo-4H-1 (CAS 87343-90-6), with molecular formula C9H8ClN3O3S2 and molecular weight 304.97 g/mol. IUPAC: S-[(6-chloro-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)] N-methylcarbamothioate.
Chemical Property Profile of S-[(6-chloro-1,1-dioxo-4H-1
Property Insights of S-[(6-chloro-1,1-dioxo-4H-1
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-[(6-chloro-1,1-dioxo-4H-1. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for S-[(6-chloro-1,1-dioxo-4H-1. Following Lipinski's Rule of Five, S-[(6-chloro-1,1-dioxo-4H-1 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 S-[(6-chloro-1,1-dioxo-4H-1?
The CAS number of S-[(6-chloro-1,1-dioxo-4H-1 is 87343-90-6.
What is the molecular formula of S-[(6-chloro-1,1-dioxo-4H-1?
The molecular formula of S-[(6-chloro-1,1-dioxo-4H-1 is C9H8ClN3O3S2.
What is the molecular weight of S-[(6-chloro-1,1-dioxo-4H-1?
The molecular weight of S-[(6-chloro-1,1-dioxo-4H-1 is 304.97 g/mol.
Where can I buy S-[(6-chloro-1,1-dioxo-4H-1?
You can request a quote for S-[(6-chloro-1,1-dioxo-4H-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-[(6-chloro-1,1-dioxo-4H-1?
Yes, KEHONG BIO provides custom synthesis services for S-[(6-chloro-1,1-dioxo-4H-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.