4-(N-cyano-C-methylsulfanylcarbonimidoyl)sulfanylbenzenesulfonamide
TL;DR: 4-(N-cyano-C-methylsulfanylcarbonimidoyl)sulfanylbenzenesulfonamide (CAS 152382-12-2) is a chemical compound with molecular formula C9H9N3O2S3 and molecular weight 286.9857 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(N-cyano-C-methylsulfanylcarbonimidoyl)sulfanylbenzenesulfonamide
Also Known As: (4-Aminosulfonylphenyl) methyl, 4-(N-cyano-C-methylsulfanylcarbonimidoyl)sulfanylbenzenesulfonamide, (4-Aminosulfonylphenyl) methyl cyanocarbonimidodithioate, Methyl 4-sulfamoylphenyl cyanocarbonodithioimidate, AI-067/31570011
Technical Specifications
| Molecular Formula | C9H9N3O2S3 |
| Molecular Weight | 286.9857 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 155.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 286.9857 Da |
| Heavy Atoms | 17 |
| Complexity | 424.0 |
| SMILES | CSC(=NC#N)SC1=CC=C(C=C1)S(=O)(=O)N |
| InChIKey | ADHGVZFHMDXNEX-UHFFFAOYSA-N |
Chemical Property Profile of 4-(N-cyano-C-methylsulfanylcarbonimidoyl)sulfanylbenzenesulfonamide
Property Insights of 4-(N-cyano-C-methylsulfanylcarbonimidoyl)sulfanylbenzenesulfonamide
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(N-cyano-C-methylsulfanylcarbonimidoyl)sulfanylbenzenesulfonamide. The TPSA of 155.0 Ų indicates high polarity, suggesting 4-(N-cyano-C-methylsulfanylcarbonimidoyl)sulfanylbenzenesulfonamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-(N-cyano-C-methylsulfanylcarbonimidoyl)sulfanylbenzenesulfonamide has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-(N-cyano-C-methylsulfanylcarbonimidoyl)sulfanylbenzenesulfonamide?
The CAS number of 4-(N-cyano-C-methylsulfanylcarbonimidoyl)sulfanylbenzenesulfonamide is 152382-12-2.
What is the molecular formula of 4-(N-cyano-C-methylsulfanylcarbonimidoyl)sulfanylbenzenesulfonamide?
The molecular formula of 4-(N-cyano-C-methylsulfanylcarbonimidoyl)sulfanylbenzenesulfonamide is C9H9N3O2S3.
What is the molecular weight of 4-(N-cyano-C-methylsulfanylcarbonimidoyl)sulfanylbenzenesulfonamide?
The molecular weight of 4-(N-cyano-C-methylsulfanylcarbonimidoyl)sulfanylbenzenesulfonamide is 286.9857 g/mol.
Where can I buy 4-(N-cyano-C-methylsulfanylcarbonimidoyl)sulfanylbenzenesulfonamide?
You can request a quote for 4-(N-cyano-C-methylsulfanylcarbonimidoyl)sulfanylbenzenesulfonamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(N-cyano-C-methylsulfanylcarbonimidoyl)sulfanylbenzenesulfonamide?
Yes, CoreyChem provides custom synthesis services for 4-(N-cyano-C-methylsulfanylcarbonimidoyl)sulfanylbenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.