N-butyl-2-sulfanyl-1H-1,3-benzodiazole-6-sulfonamide
TL;DR: N-butyl-2-sulfanyl-1H-1,3-benzodiazole-6-sulfonamide (CAS 519150-45-9) is a chemical compound with molecular formula C11H15N3O2S2 and molecular weight 285.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-butyl-2-sulfanylidene-1,3-dihydrobenzimidazole-5-sulfonamide
Also Known As: N-butyl-2-sulfanyl-1H-1,3-benzodiazole-6-sulfonamide, 2-Mercapto-1H-benzoimidazole-5-sulfonic acid butylamide, N-butyl-2-sulfanylidene-1,3-dihydrobenzimidazole-5-sulfonamide, N-butyl-2-sulfanyl-1H-1,3-benzodiazole-5-sulfonamide, N-butyl-2-thioxo-1,3-dihydrobenzimidazole-5-sulfonamide
| Molecular Formula | C11H15N3O2S2 |
|---|---|
| Molecular Weight | 285.06 g/mol |
| LogP | 2.30389 |
| Topological Polar Surface Area | 77.75 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 285.06058 |
| Heavy Atoms | 18 |
| Complexity | 700.3918 |
Chemical Identifiers
| CAS Number | 519150-45-9 |
|---|---|
| SMILES | CCCCNS(=O)(=O)C1=CC2=C(C=C1)NC(=S)N2 |
Product Overview
N-butyl-2-sulfanyl-1H-1,3-benzodiazole-6-sulfonamide (CAS 519150-45-9), with molecular formula C11H15N3O2S2 and molecular weight 285.06 g/mol. IUPAC: N-butyl-2-sulfanylidene-1,3-dihydrobenzimidazole-5-sulfonamide.
Chemical Property Profile of N-butyl-2-sulfanyl-1H-1,3-benzodiazole-6-sulfonamide
Property Insights of N-butyl-2-sulfanyl-1H-1,3-benzodiazole-6-sulfonamide
The XLogP value of 2.30389 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-butyl-2-sulfanyl-1H-1,3-benzodiazole-6-sulfonamide. The TPSA of 77.75 Ų falls within the moderate polarity range, balancing permeability and solubility for N-butyl-2-sulfanyl-1H-1,3-benzodiazole-6-sulfonamide. Following Lipinski's Rule of Five, N-butyl-2-sulfanyl-1H-1,3-benzodiazole-6-sulfonamide has 3 hydrogen bond donor(s) and 3 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 N-butyl-2-sulfanyl-1H-1,3-benzodiazole-6-sulfonamide?
The CAS number of N-butyl-2-sulfanyl-1H-1,3-benzodiazole-6-sulfonamide is 519150-45-9.
What is the molecular formula of N-butyl-2-sulfanyl-1H-1,3-benzodiazole-6-sulfonamide?
The molecular formula of N-butyl-2-sulfanyl-1H-1,3-benzodiazole-6-sulfonamide is C11H15N3O2S2.
What is the molecular weight of N-butyl-2-sulfanyl-1H-1,3-benzodiazole-6-sulfonamide?
The molecular weight of N-butyl-2-sulfanyl-1H-1,3-benzodiazole-6-sulfonamide is 285.06 g/mol.
Where can I buy N-butyl-2-sulfanyl-1H-1,3-benzodiazole-6-sulfonamide?
You can request a quote for N-butyl-2-sulfanyl-1H-1,3-benzodiazole-6-sulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-butyl-2-sulfanyl-1H-1,3-benzodiazole-6-sulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-butyl-2-sulfanyl-1H-1,3-benzodiazole-6-sulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.