2-(Methylthio)-4,7-dihydro-1H-benzimidazole-4,7-dione
TL;DR: 2-(Methylthio)-4,7-dihydro-1H-benzimidazole-4,7-dione (CAS 310461-58-6) is a chemical compound with molecular formula C8H6N2O2S and molecular weight 194.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylsulfanyl-1H-benzimidazole-4,7-dione
Also Known As: 2-methylsulfanyl-1H-benzimidazole-4,7-dione, 1h-benzimidazole-4,7-dione,2-(methylthio)-, 2-(Methylthio)-4,7-dihydro-1H-benzimidazole-4,7-dione, J1.384.310D, 1H-Benzimidazole-4,7-dione,2-(methylthio)-(9CI)
| Molecular Formula | C8H6N2O2S |
|---|---|
| Molecular Weight | 194.01 g/mol |
| LogP | 1.0668 |
| Topological Polar Surface Area | 62.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 194.015 |
| Heavy Atoms | 13 |
| Complexity | 384.27856 |
Chemical Identifiers
| CAS Number | 310461-58-6 |
|---|---|
| SMILES | CSC1=NC2=C(N1)C(=O)C=CC2=O |
Product Overview
2-(Methylthio)-4,7-dihydro-1H-benzimidazole-4,7-dione (CAS 310461-58-6), with molecular formula C8H6N2O2S and molecular weight 194.01 g/mol. IUPAC: 2-methylsulfanyl-1H-benzimidazole-4,7-dione.
Chemical Property Profile of 2-(Methylthio)-4,7-dihydro-1H-benzimidazole-4,7-dione
Property Insights of 2-(Methylthio)-4,7-dihydro-1H-benzimidazole-4,7-dione
The XLogP value of 1.0668 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Methylthio)-4,7-dihydro-1H-benzimidazole-4,7-dione. The TPSA of 62.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Methylthio)-4,7-dihydro-1H-benzimidazole-4,7-dione. Following Lipinski's Rule of Five, 2-(Methylthio)-4,7-dihydro-1H-benzimidazole-4,7-dione has 1 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 2-(Methylthio)-4,7-dihydro-1H-benzimidazole-4,7-dione?
The CAS number of 2-(Methylthio)-4,7-dihydro-1H-benzimidazole-4,7-dione is 310461-58-6.
What is the molecular formula of 2-(Methylthio)-4,7-dihydro-1H-benzimidazole-4,7-dione?
The molecular formula of 2-(Methylthio)-4,7-dihydro-1H-benzimidazole-4,7-dione is C8H6N2O2S.
What is the molecular weight of 2-(Methylthio)-4,7-dihydro-1H-benzimidazole-4,7-dione?
The molecular weight of 2-(Methylthio)-4,7-dihydro-1H-benzimidazole-4,7-dione is 194.01 g/mol.
Where can I buy 2-(Methylthio)-4,7-dihydro-1H-benzimidazole-4,7-dione?
You can request a quote for 2-(Methylthio)-4,7-dihydro-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 2-(Methylthio)-4,7-dihydro-1H-benzimidazole-4,7-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(Methylthio)-4,7-dihydro-1H-benzimidazole-4,7-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.