Methyl-4H-1,2,4-benzothiadiazin-3-yl-carbamodithioate-S,S-dioxide
TL;DR: Methyl-4H-1,2,4-benzothiadiazin-3-yl-carbamodithioate-S,S-dioxide (CAS 87344-00-1) is a chemical compound with molecular formula C9H9N3O2S3 and molecular weight 286.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl) N-methylcarbamodithioate
Also Known As: 4-Btcdt, Carbamodithioic acid der., (1,1-dioxo-4H-1, Methyl-4H-1,2,4-benzothiadiazin-3-yl-carbamodithioate-S,S-dioxide, Carbamodithioic acid, methyl-, 2H-1,2,4-benzothiadiazin-3-yl ester, S,S-dioxide
| Molecular Formula | C9H9N3O2S3 |
|---|---|
| Molecular Weight | 286.99 g/mol |
| LogP | 1.3943 |
| Topological Polar Surface Area | 70.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 286.9857 |
| Heavy Atoms | 17 |
| Complexity | 595.25854 |
Chemical Identifiers
| CAS Number | 87344-00-1 |
|---|---|
| SMILES | CNC(=S)SC1=NS(=O)(=O)C2=CC=CC=C2N1 |
Product Overview
Methyl-4H-1,2,4-benzothiadiazin-3-yl-carbamodithioate-S,S-dioxide (CAS 87344-00-1), with molecular formula C9H9N3O2S3 and molecular weight 286.99 g/mol. IUPAC: (1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl) N-methylcarbamodithioate.
Chemical Property Profile of Methyl-4H-1,2,4-benzothiadiazin-3-yl-carbamodithioate-S,S-dioxide
Property Insights of Methyl-4H-1,2,4-benzothiadiazin-3-yl-carbamodithioate-S,S-dioxide
The XLogP value of 1.3943 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl-4H-1,2,4-benzothiadiazin-3-yl-carbamodithioate-S,S-dioxide. The TPSA of 70.56 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl-4H-1,2,4-benzothiadiazin-3-yl-carbamodithioate-S,S-dioxide. Following Lipinski's Rule of Five, Methyl-4H-1,2,4-benzothiadiazin-3-yl-carbamodithioate-S,S-dioxide 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 Methyl-4H-1,2,4-benzothiadiazin-3-yl-carbamodithioate-S,S-dioxide?
The CAS number of Methyl-4H-1,2,4-benzothiadiazin-3-yl-carbamodithioate-S,S-dioxide is 87344-00-1.
What is the molecular formula of Methyl-4H-1,2,4-benzothiadiazin-3-yl-carbamodithioate-S,S-dioxide?
The molecular formula of Methyl-4H-1,2,4-benzothiadiazin-3-yl-carbamodithioate-S,S-dioxide is C9H9N3O2S3.
What is the molecular weight of Methyl-4H-1,2,4-benzothiadiazin-3-yl-carbamodithioate-S,S-dioxide?
The molecular weight of Methyl-4H-1,2,4-benzothiadiazin-3-yl-carbamodithioate-S,S-dioxide is 286.99 g/mol.
Where can I buy Methyl-4H-1,2,4-benzothiadiazin-3-yl-carbamodithioate-S,S-dioxide?
You can request a quote for Methyl-4H-1,2,4-benzothiadiazin-3-yl-carbamodithioate-S,S-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl-4H-1,2,4-benzothiadiazin-3-yl-carbamodithioate-S,S-dioxide?
Yes, KEHONG BIO provides custom synthesis services for Methyl-4H-1,2,4-benzothiadiazin-3-yl-carbamodithioate-S,S-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.