3-((1H-1,3-benzodiazol-2-yl)methyl)-1lambda6-thiolane-1,1-dione
TL;DR: 3-((1H-1,3-benzodiazol-2-yl)methyl)-1lambda6-thiolane-1,1-dione (CAS 863668-11-5) is a chemical compound with molecular formula C12H14N2O2S and molecular weight 250.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1H-benzimidazol-2-ylmethyl)thiolane 1,1-dioxide
Also Known As: 2-[(1,1-dioxidotetrahydrothien-3-yl)methyl]-1H-benzimidazole, 3-(1H-benzimidazol-2-ylmethyl)thiolane 1,1-dioxide, 2-[(Tetrahydro-1,1-dioxido-3-thienyl)methyl]-1H-benzimidazole, 3-((1H-Benzo[d]imidazol-2-yl)methyl)tetrahydrothiophene 1,1-dioxide, 3-(1H-1,3-benzodiazol-2-ylmethyl)-1??-thiolane-1,1-dione
| Molecular Formula | C12H14N2O2S |
|---|---|
| Molecular Weight | 250.08 g/mol |
| LogP | 1.5401 |
| Topological Polar Surface Area | 62.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 250.0776 |
| Heavy Atoms | 17 |
| Complexity | 612.32434 |
Chemical Identifiers
| CAS Number | 863668-11-5 |
|---|---|
| SMILES | C1CS(=O)(=O)CC1CC2=NC3=CC=CC=C3N2 |
Product Overview
3-((1H-1,3-benzodiazol-2-yl)methyl)-1lambda6-thiolane-1,1-dione (CAS 863668-11-5), with molecular formula C12H14N2O2S and molecular weight 250.08 g/mol. IUPAC: 3-(1H-benzimidazol-2-ylmethyl)thiolane 1,1-dioxide.
Chemical Property Profile of 3-((1H-1,3-benzodiazol-2-yl)methyl)-1lambda6-thiolane-1,1-dione
Property Insights of 3-((1H-1,3-benzodiazol-2-yl)methyl)-1lambda6-thiolane-1,1-dione
The XLogP value of 1.5401 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((1H-1,3-benzodiazol-2-yl)methyl)-1lambda6-thiolane-1,1-dione. The TPSA of 62.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((1H-1,3-benzodiazol-2-yl)methyl)-1lambda6-thiolane-1,1-dione. Following Lipinski's Rule of Five, 3-((1H-1,3-benzodiazol-2-yl)methyl)-1lambda6-thiolane-1,1-dione has 1 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 3-((1H-1,3-benzodiazol-2-yl)methyl)-1lambda6-thiolane-1,1-dione?
The CAS number of 3-((1H-1,3-benzodiazol-2-yl)methyl)-1lambda6-thiolane-1,1-dione is 863668-11-5.
What is the molecular formula of 3-((1H-1,3-benzodiazol-2-yl)methyl)-1lambda6-thiolane-1,1-dione?
The molecular formula of 3-((1H-1,3-benzodiazol-2-yl)methyl)-1lambda6-thiolane-1,1-dione is C12H14N2O2S.
What is the molecular weight of 3-((1H-1,3-benzodiazol-2-yl)methyl)-1lambda6-thiolane-1,1-dione?
The molecular weight of 3-((1H-1,3-benzodiazol-2-yl)methyl)-1lambda6-thiolane-1,1-dione is 250.08 g/mol.
Where can I buy 3-((1H-1,3-benzodiazol-2-yl)methyl)-1lambda6-thiolane-1,1-dione?
You can request a quote for 3-((1H-1,3-benzodiazol-2-yl)methyl)-1lambda6-thiolane-1,1-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((1H-1,3-benzodiazol-2-yl)methyl)-1lambda6-thiolane-1,1-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-((1H-1,3-benzodiazol-2-yl)methyl)-1lambda6-thiolane-1,1-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.