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Benzo[d][1,2,3]thiadiazole-5-carbonitrile
TL;DR: Benzo[d][1,2,3]thiadiazole-5-carbonitrile (CAS 23616-13-9) is a chemical compound with molecular formula C7H3N3S and molecular weight 161.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,3-benzothiadiazole-5-carbonitrile
Also Known As: Benzo[d][1,2,3]thiadiazole-5-carbonitrile, 1,2,3-benzothiadiazole-5-carbonitrile
| Molecular Formula | C7H3N3S |
|---|---|
| Molecular Weight | 161.00 g/mol |
| LogP | 1.56298 |
| Topological Polar Surface Area | 49.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 161.00476 |
| Heavy Atoms | 11 |
| Complexity | 426.42346 |
Chemical Identifiers
| CAS Number | 23616-13-9 |
|---|---|
| SMILES | C1=CC2=C(C=C1C#N)N=NS2 |
Product Overview
Benzo[d][1,2,3]thiadiazole-5-carbonitrile (CAS 23616-13-9), with molecular formula C7H3N3S and molecular weight 161.00 g/mol. IUPAC: 1,2,3-benzothiadiazole-5-carbonitrile.
Chemical Property Profile of Benzo[d][1,2,3]thiadiazole-5-carbonitrile
Property Insights of Benzo[d][1,2,3]thiadiazole-5-carbonitrile
The XLogP value of 1.56298 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzo[d][1,2,3]thiadiazole-5-carbonitrile. With a topological polar surface area (TPSA) of 49.57 Ų, Benzo[d][1,2,3]thiadiazole-5-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo[d][1,2,3]thiadiazole-5-carbonitrile 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 Benzo[d][1,2,3]thiadiazole-5-carbonitrile?
The CAS number of Benzo[d][1,2,3]thiadiazole-5-carbonitrile is 23616-13-9.
What is the molecular formula of Benzo[d][1,2,3]thiadiazole-5-carbonitrile?
The molecular formula of Benzo[d][1,2,3]thiadiazole-5-carbonitrile is C7H3N3S.
What is the molecular weight of Benzo[d][1,2,3]thiadiazole-5-carbonitrile?
The molecular weight of Benzo[d][1,2,3]thiadiazole-5-carbonitrile is 161.00 g/mol.
Where can I buy Benzo[d][1,2,3]thiadiazole-5-carbonitrile?
You can request a quote for Benzo[d][1,2,3]thiadiazole-5-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzo[d][1,2,3]thiadiazole-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for Benzo[d][1,2,3]thiadiazole-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.