![2,2'-(Benzo[c][1,2,5]thiadiazole-4,7-diylidene)dimalononitrile structure](/static/products/1259/125990-78-5.webp)
2,2'-(Benzo[c][1,2,5]thiadiazole-4,7-diylidene)dimalononitrile
TL;DR: 2,2'-(Benzo[c][1,2,5]thiadiazole-4,7-diylidene)dimalononitrile (CAS 125990-78-5) is a chemical compound with molecular formula C12H2N6S and molecular weight 262.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(dicyanomethylidene)-2,1,3-benzothiadiazol-7-ylidene]propanedinitrile
Also Known As: 2,1,3-Benzothiadiazole-4,7-diylidenebis(malononitrile), 2,2'-(Benzo[c][1,2,5]thiadiazole-4,7-diylidene)dimalononitrile, Propanedinitrile, 2,2'-(2,1,3-benzothiadiazole-4,7-diylidene)bis-, 2,2 -(2,1,3-Benzothiadiazole-4,7-diylidene)bis(malononitrile), 2-[4-(dicyanomethylene)-2,1,3-benzothiadiazol-7-ylidene]propanedinitrile
| Molecular Formula | C12H2N6S |
|---|---|
| Molecular Weight | 262.01 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 149.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 262.00616 |
| Heavy Atoms | 19 |
| Complexity | 621.0 |
Chemical Identifiers
| CAS Number | 125990-78-5 |
|---|---|
| SMILES | C1=CC(=C(C#N)C#N)C2=NSN=C2C1=C(C#N)C#N |
| InChIKey | YJKTUPPCYLQBQA-UHFFFAOYSA-N |
Product Overview
2,2'-(Benzo[c][1,2,5]thiadiazole-4,7-diylidene)dimalononitrile (CAS 125990-78-5), with molecular formula C12H2N6S and molecular weight 262.01 g/mol. IUPAC: 2-[4-(dicyanomethylidene)-2,1,3-benzothiadiazol-7-ylidene]propanedinitrile.
Chemical Property Profile of 2,2'-(Benzo[c][1,2,5]thiadiazole-4,7-diylidene)dimalononitrile
Property Insights of 2,2'-(Benzo[c][1,2,5]thiadiazole-4,7-diylidene)dimalononitrile
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2'-(Benzo[c][1,2,5]thiadiazole-4,7-diylidene)dimalononitrile. The TPSA of 149.0 Ų indicates high polarity, suggesting 2,2'-(Benzo[c][1,2,5]thiadiazole-4,7-diylidene)dimalononitrile may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,2'-(Benzo[c][1,2,5]thiadiazole-4,7-diylidene)dimalononitrile has 0 hydrogen bond donor(s) and 7 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 2,2'-(Benzo[c][1,2,5]thiadiazole-4,7-diylidene)dimalononitrile?
The CAS number of 2,2'-(Benzo[c][1,2,5]thiadiazole-4,7-diylidene)dimalononitrile is 125990-78-5.
What is the molecular formula of 2,2'-(Benzo[c][1,2,5]thiadiazole-4,7-diylidene)dimalononitrile?
The molecular formula of 2,2'-(Benzo[c][1,2,5]thiadiazole-4,7-diylidene)dimalononitrile is C12H2N6S.
What is the molecular weight of 2,2'-(Benzo[c][1,2,5]thiadiazole-4,7-diylidene)dimalononitrile?
The molecular weight of 2,2'-(Benzo[c][1,2,5]thiadiazole-4,7-diylidene)dimalononitrile is 262.01 g/mol.
Where can I buy 2,2'-(Benzo[c][1,2,5]thiadiazole-4,7-diylidene)dimalononitrile?
You can request a quote for 2,2'-(Benzo[c][1,2,5]thiadiazole-4,7-diylidene)dimalononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2'-(Benzo[c][1,2,5]thiadiazole-4,7-diylidene)dimalononitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,2'-(Benzo[c][1,2,5]thiadiazole-4,7-diylidene)dimalononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.