5-(4,6-Dimethylpyrimidin-2-yl)sulfanyl-4-nitro-2,1,3-benzothiadiazole
TL;DR: 5-(4,6-Dimethylpyrimidin-2-yl)sulfanyl-4-nitro-2,1,3-benzothiadiazole (CAS 328262-96-0) is a chemical compound with molecular formula C12H9N5O2S2 and molecular weight 319.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4-nitro-2,1,3-benzothiadiazole
Also Known As: BAS 01322618, AR-422/12946438, 5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4-nitro-2,1,3-benzothiadiazole, 5-(4,6-dimethylpyrimidin-2-ylthio)-4-nitrobenzo[c]1,2,5-thiadiazole, 5-(4,6-Dimethyl-pyrimidin-2-ylsulfanyl)-4-nitro-benzo[1,2,5]thiadiazole
| Molecular Formula | C12H9N5O2S2 |
|---|---|
| Molecular Weight | 319.02 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 151.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 319.01978 |
| Heavy Atoms | 21 |
| Complexity | 386.0 |
Chemical Identifiers
| CAS Number | 328262-96-0 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)SC2=C(C3=NSN=C3C=C2)[N+](=O)[O-])C |
| InChIKey | XURGHKVTLSPTCX-UHFFFAOYSA-N |
Product Overview
5-(4,6-Dimethylpyrimidin-2-yl)sulfanyl-4-nitro-2,1,3-benzothiadiazole (CAS 328262-96-0), with molecular formula C12H9N5O2S2 and molecular weight 319.02 g/mol. IUPAC: 5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4-nitro-2,1,3-benzothiadiazole.
Chemical Property Profile of 5-(4,6-Dimethylpyrimidin-2-yl)sulfanyl-4-nitro-2,1,3-benzothiadiazole
Property Insights of 5-(4,6-Dimethylpyrimidin-2-yl)sulfanyl-4-nitro-2,1,3-benzothiadiazole
The XLogP value of 3.1 indicates that 5-(4,6-Dimethylpyrimidin-2-yl)sulfanyl-4-nitro-2,1,3-benzothiadiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 151.0 Ų indicates high polarity, suggesting 5-(4,6-Dimethylpyrimidin-2-yl)sulfanyl-4-nitro-2,1,3-benzothiadiazole may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-(4,6-Dimethylpyrimidin-2-yl)sulfanyl-4-nitro-2,1,3-benzothiadiazole has 0 hydrogen bond donor(s) and 8 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 5-(4,6-Dimethylpyrimidin-2-yl)sulfanyl-4-nitro-2,1,3-benzothiadiazole?
The CAS number of 5-(4,6-Dimethylpyrimidin-2-yl)sulfanyl-4-nitro-2,1,3-benzothiadiazole is 328262-96-0.
What is the molecular formula of 5-(4,6-Dimethylpyrimidin-2-yl)sulfanyl-4-nitro-2,1,3-benzothiadiazole?
The molecular formula of 5-(4,6-Dimethylpyrimidin-2-yl)sulfanyl-4-nitro-2,1,3-benzothiadiazole is C12H9N5O2S2.
What is the molecular weight of 5-(4,6-Dimethylpyrimidin-2-yl)sulfanyl-4-nitro-2,1,3-benzothiadiazole?
The molecular weight of 5-(4,6-Dimethylpyrimidin-2-yl)sulfanyl-4-nitro-2,1,3-benzothiadiazole is 319.02 g/mol.
Where can I buy 5-(4,6-Dimethylpyrimidin-2-yl)sulfanyl-4-nitro-2,1,3-benzothiadiazole?
You can request a quote for 5-(4,6-Dimethylpyrimidin-2-yl)sulfanyl-4-nitro-2,1,3-benzothiadiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4,6-Dimethylpyrimidin-2-yl)sulfanyl-4-nitro-2,1,3-benzothiadiazole?
Yes, KEHONG BIO provides custom synthesis services for 5-(4,6-Dimethylpyrimidin-2-yl)sulfanyl-4-nitro-2,1,3-benzothiadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.