5,6-bis(2-chloroethylsulfanyl)-1H-benzimidazole-4,7-dione
TL;DR: 5,6-bis(2-chloroethylsulfanyl)-1H-benzimidazole-4,7-dione (CAS 26558-08-7) is a chemical compound with molecular formula C11H10Cl2N2O2S2 and molecular weight 335.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,6-bis(2-chloroethylsulfanyl)-1H-benzimidazole-4,7-dione
Also Known As: 5,7-dione, 5,6-bis(2-chloroethylsulfanyl)-1H-benzimidazole-4,7-dione, 5,6-bis[(2-chloroethyl)sulfanyl]-1h-benzimidazole-4,7-dione, 1H-Benzimidazole-4,7-dione,5,6-bis[(2-chloroethyl)thio]-, 1H-Benzimidazole-4,7-dione, 5,6-bis[(2-chloroethyl)thio]-
| Molecular Formula | C11H10Cl2N2O2S2 |
|---|---|
| Molecular Weight | 335.96 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 335.9561 |
| Heavy Atoms | 19 |
| Complexity | 417.0 |
Chemical Identifiers
| CAS Number | 26558-08-7 |
|---|---|
| SMILES | C1=NC2=C(N1)C(=O)C(=C(C2=O)SCCCl)SCCCl |
| InChIKey | FJXXPBSXLGDGQI-UHFFFAOYSA-N |
Product Overview
5,6-bis(2-chloroethylsulfanyl)-1H-benzimidazole-4,7-dione (CAS 26558-08-7), with molecular formula C11H10Cl2N2O2S2 and molecular weight 335.96 g/mol. IUPAC: 5,6-bis(2-chloroethylsulfanyl)-1H-benzimidazole-4,7-dione.
Chemical Property Profile of 5,6-bis(2-chloroethylsulfanyl)-1H-benzimidazole-4,7-dione
Property Insights of 5,6-bis(2-chloroethylsulfanyl)-1H-benzimidazole-4,7-dione
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,6-bis(2-chloroethylsulfanyl)-1H-benzimidazole-4,7-dione. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,6-bis(2-chloroethylsulfanyl)-1H-benzimidazole-4,7-dione. Following Lipinski's Rule of Five, 5,6-bis(2-chloroethylsulfanyl)-1H-benzimidazole-4,7-dione has 1 hydrogen bond donor(s) and 5 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 5,6-bis(2-chloroethylsulfanyl)-1H-benzimidazole-4,7-dione?
The CAS number of 5,6-bis(2-chloroethylsulfanyl)-1H-benzimidazole-4,7-dione is 26558-08-7.
What is the molecular formula of 5,6-bis(2-chloroethylsulfanyl)-1H-benzimidazole-4,7-dione?
The molecular formula of 5,6-bis(2-chloroethylsulfanyl)-1H-benzimidazole-4,7-dione is C11H10Cl2N2O2S2.
What is the molecular weight of 5,6-bis(2-chloroethylsulfanyl)-1H-benzimidazole-4,7-dione?
The molecular weight of 5,6-bis(2-chloroethylsulfanyl)-1H-benzimidazole-4,7-dione is 335.96 g/mol.
Where can I buy 5,6-bis(2-chloroethylsulfanyl)-1H-benzimidazole-4,7-dione?
You can request a quote for 5,6-bis(2-chloroethylsulfanyl)-1H-benzimidazole-4,7-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,6-bis(2-chloroethylsulfanyl)-1H-benzimidazole-4,7-dione?
Yes, KEHONG BIO provides custom synthesis services for 5,6-bis(2-chloroethylsulfanyl)-1H-benzimidazole-4,7-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.