2,1,3-Benzothiadiazole-2(S(sup IV))-4,5-diamine
TL;DR: 2,1,3-Benzothiadiazole-2(S(sup IV))-4,5-diamine (CAS 85197-20-2) is a chemical compound with molecular formula C6H6N4S and molecular weight 166.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,1,3-benzothiadiazole-4,5-diamine
Also Known As: 2,1,3-benzothiadiazole-4,5-diamine, Benzo[c][1,2,5]thiadiazole-4,5-diamine, starbld0013093, benzo[c]1,2,5-thiadiazole-4,5-diamine, 2,1,3-Benzothiadiazole-2(S(sup IV))-4,5-diamine
| Molecular Formula | C6H6N4S |
|---|---|
| Molecular Weight | 166.03 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 166.03131 |
| Heavy Atoms | 11 |
| Complexity | 154.0 |
Chemical Identifiers
| CAS Number | 85197-20-2 |
|---|---|
| SMILES | C1=CC2=NSN=C2C(=C1N)N |
| InChIKey | KBTZPUWOUVFXHS-UHFFFAOYSA-N |
Product Overview
2,1,3-Benzothiadiazole-2(S(sup IV))-4,5-diamine (CAS 85197-20-2), with molecular formula C6H6N4S and molecular weight 166.03 g/mol. IUPAC: 2,1,3-benzothiadiazole-4,5-diamine.
Chemical Property Profile of 2,1,3-Benzothiadiazole-2(S(sup IV))-4,5-diamine
Property Insights of 2,1,3-Benzothiadiazole-2(S(sup IV))-4,5-diamine
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,1,3-Benzothiadiazole-2(S(sup IV))-4,5-diamine. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,1,3-Benzothiadiazole-2(S(sup IV))-4,5-diamine. Following Lipinski's Rule of Five, 2,1,3-Benzothiadiazole-2(S(sup IV))-4,5-diamine 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 2,1,3-Benzothiadiazole-2(S(sup IV))-4,5-diamine?
The CAS number of 2,1,3-Benzothiadiazole-2(S(sup IV))-4,5-diamine is 85197-20-2.
What is the molecular formula of 2,1,3-Benzothiadiazole-2(S(sup IV))-4,5-diamine?
The molecular formula of 2,1,3-Benzothiadiazole-2(S(sup IV))-4,5-diamine is C6H6N4S.
What is the molecular weight of 2,1,3-Benzothiadiazole-2(S(sup IV))-4,5-diamine?
The molecular weight of 2,1,3-Benzothiadiazole-2(S(sup IV))-4,5-diamine is 166.03 g/mol.
Where can I buy 2,1,3-Benzothiadiazole-2(S(sup IV))-4,5-diamine?
You can request a quote for 2,1,3-Benzothiadiazole-2(S(sup IV))-4,5-diamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,1,3-Benzothiadiazole-2(S(sup IV))-4,5-diamine?
Yes, KEHONG BIO provides custom synthesis services for 2,1,3-Benzothiadiazole-2(S(sup IV))-4,5-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.