(2,1,3-Benzothiadiazol-4-yl)methanol
TL;DR: (2,1,3-Benzothiadiazol-4-yl)methanol (CAS 16406-00-1) is a chemical compound with molecular formula C7H6N2OS and molecular weight 166.02008 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,1,3-benzothiadiazol-4-ylmethanol
Also Known As: Benzo[c][1,2,5]thiadiazol-4-ylmethanol, (2,1,3-Benzothiadiazol-4-yl)methanol, 2,1,3-BENZOTHIADIAZOL-4-YLMETHANOL, 4-Hydroxymethyl-2,1,3-benzothiadiazole, 2,1,3-Benzothiadiazole-4-methanol
Technical Specifications
| Molecular Formula | C7H6N2OS |
| Molecular Weight | 166.02008 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 74.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 166.02008 Da |
| Heavy Atoms | 11 |
| Complexity | 144.0 |
| SMILES | C1=CC2=NSN=C2C(=C1)CO |
| InChIKey | LASMSURVAZPERF-UHFFFAOYSA-N |
Chemical Property Profile of (2,1,3-Benzothiadiazol-4-yl)methanol
Property Insights of (2,1,3-Benzothiadiazol-4-yl)methanol
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2,1,3-Benzothiadiazol-4-yl)methanol. The TPSA of 74.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (2,1,3-Benzothiadiazol-4-yl)methanol. Following Lipinski's Rule of Five, (2,1,3-Benzothiadiazol-4-yl)methanol has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (2,1,3-Benzothiadiazol-4-yl)methanol?
The CAS number of (2,1,3-Benzothiadiazol-4-yl)methanol is 16406-00-1.
What is the molecular formula of (2,1,3-Benzothiadiazol-4-yl)methanol?
The molecular formula of (2,1,3-Benzothiadiazol-4-yl)methanol is C7H6N2OS.
What is the molecular weight of (2,1,3-Benzothiadiazol-4-yl)methanol?
The molecular weight of (2,1,3-Benzothiadiazol-4-yl)methanol is 166.02008 g/mol.
Where can I buy (2,1,3-Benzothiadiazol-4-yl)methanol?
You can request a quote for (2,1,3-Benzothiadiazol-4-yl)methanol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (2,1,3-Benzothiadiazol-4-yl)methanol?
Yes, CoreyChem provides custom synthesis services for (2,1,3-Benzothiadiazol-4-yl)methanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.