2,1,3-Benzothiadiazole-4-carbaldehyde
TL;DR: 2,1,3-Benzothiadiazole-4-carbaldehyde (CAS 5170-68-3) is a chemical compound with molecular formula C7H4N2OS and molecular weight 164.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,1,3-benzothiadiazole-4-carbaldehyde
Also Known As: 2,1,3-benzothiadiazole-4-carbaldehyde, benzo[c][1,2,5]thiadiazole-4-carbaldehyde, 2,1,3-BENZOTHIADIAZOLE-4-CARBOXALDEHYDE, 5-Amino-2-pyridineethione, TOS-BB-1233
| Molecular Formula | C7H4N2OS |
|---|---|
| Molecular Weight | 164.00 g/mol |
| LogP | 1.5038 |
| Topological Polar Surface Area | 42.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 164.00444 |
| Heavy Atoms | 11 |
| Complexity | 395.99484 |
Chemical Identifiers
| CAS Number | 5170-68-3 |
|---|---|
| SMILES | C1=CC2=NSN=C2C(=C1)C=O |
Product Overview
2,1,3-Benzothiadiazole-4-carbaldehyde (CAS 5170-68-3), with molecular formula C7H4N2OS and molecular weight 164.00 g/mol. IUPAC: 2,1,3-benzothiadiazole-4-carbaldehyde.
Chemical Property Profile of 2,1,3-Benzothiadiazole-4-carbaldehyde
Property Insights of 2,1,3-Benzothiadiazole-4-carbaldehyde
The XLogP value of 1.5038 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,1,3-Benzothiadiazole-4-carbaldehyde. With a topological polar surface area (TPSA) of 42.85 Ų, 2,1,3-Benzothiadiazole-4-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,1,3-Benzothiadiazole-4-carbaldehyde 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 2,1,3-Benzothiadiazole-4-carbaldehyde?
The CAS number of 2,1,3-Benzothiadiazole-4-carbaldehyde is 5170-68-3.
What is the molecular formula of 2,1,3-Benzothiadiazole-4-carbaldehyde?
The molecular formula of 2,1,3-Benzothiadiazole-4-carbaldehyde is C7H4N2OS.
What is the molecular weight of 2,1,3-Benzothiadiazole-4-carbaldehyde?
The molecular weight of 2,1,3-Benzothiadiazole-4-carbaldehyde is 164.00 g/mol.
Where can I buy 2,1,3-Benzothiadiazole-4-carbaldehyde?
You can request a quote for 2,1,3-Benzothiadiazole-4-carbaldehyde 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-4-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 2,1,3-Benzothiadiazole-4-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.