1,3-Dimethyl-1,3-dihydro-2,1,3-benzothiadiazole 2,2-dioxide
TL;DR: 1,3-Dimethyl-1,3-dihydro-2,1,3-benzothiadiazole 2,2-dioxide (CAS 31378-12-8) is a chemical compound with molecular formula C8H10N2O2S and molecular weight 198.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-2λ6,1,3-benzothiadiazole 2,2-dioxide
Also Known As: 1,3-dimethyl-2, 1,3-Dimethyl-1,3-dihydro-2,1,3-benzothiadiazole 2,2-dioxide, 1,3-dimethyl-2lambda6,1,3-benzothiadiazole 2,2-dioxide, 2,1,3-Benzothiadiazole, 1,3-dihydro-1,3-dimethyl-, 2,2-dioxide, 1,3-Dimethyl-1,3-dihydro-2,1,3-benzothiadiazole 2,2-dioxide #
| Molecular Formula | C8H10N2O2S |
|---|---|
| Molecular Weight | 198.05 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 49.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 198.0463 |
| Heavy Atoms | 13 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 31378-12-8 |
|---|---|
| SMILES | CN1C2=CC=CC=C2N(S1(=O)=O)C |
| InChIKey | OTOFXAYAMDTESV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Dimethyl-1,3-dihydro-2,1,3-benzothiadiazole 2,2-dioxide (CAS 31378-12-8), with molecular formula C8H10N2O2S and molecular weight 198.05 g/mol. IUPAC: 1,3-dimethyl-2λ6,1,3-benzothiadiazole 2,2-dioxide.
Chemical Property Profile of 1,3-Dimethyl-1,3-dihydro-2,1,3-benzothiadiazole 2,2-dioxide
Property Insights of 1,3-Dimethyl-1,3-dihydro-2,1,3-benzothiadiazole 2,2-dioxide
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dimethyl-1,3-dihydro-2,1,3-benzothiadiazole 2,2-dioxide. With a topological polar surface area (TPSA) of 49.0 Ų, 1,3-Dimethyl-1,3-dihydro-2,1,3-benzothiadiazole 2,2-dioxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dimethyl-1,3-dihydro-2,1,3-benzothiadiazole 2,2-dioxide has 0 hydrogen bond donor(s) and 4 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 1,3-Dimethyl-1,3-dihydro-2,1,3-benzothiadiazole 2,2-dioxide?
The CAS number of 1,3-Dimethyl-1,3-dihydro-2,1,3-benzothiadiazole 2,2-dioxide is 31378-12-8.
What is the molecular formula of 1,3-Dimethyl-1,3-dihydro-2,1,3-benzothiadiazole 2,2-dioxide?
The molecular formula of 1,3-Dimethyl-1,3-dihydro-2,1,3-benzothiadiazole 2,2-dioxide is C8H10N2O2S.
What is the molecular weight of 1,3-Dimethyl-1,3-dihydro-2,1,3-benzothiadiazole 2,2-dioxide?
The molecular weight of 1,3-Dimethyl-1,3-dihydro-2,1,3-benzothiadiazole 2,2-dioxide is 198.05 g/mol.
Where can I buy 1,3-Dimethyl-1,3-dihydro-2,1,3-benzothiadiazole 2,2-dioxide?
You can request a quote for 1,3-Dimethyl-1,3-dihydro-2,1,3-benzothiadiazole 2,2-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dimethyl-1,3-dihydro-2,1,3-benzothiadiazole 2,2-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dimethyl-1,3-dihydro-2,1,3-benzothiadiazole 2,2-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.