4-Benzimidazol-2-ylthio-3-methyl-4,5-dihydrothiophene-1,1-dione
TL;DR: 4-Benzimidazol-2-ylthio-3-methyl-4,5-dihydrothiophene-1,1-dione (CAS 330180-86-4) is a chemical compound with molecular formula C12H12N2O2S2 and molecular weight 280.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1H-benzimidazol-2-ylsulfanyl)-4-methyl-2,3-dihydrothiophene 1,1-dioxide
Also Known As: ChemDiv3_004199, IDI1_022109, BAS 00093256, BRD-A66953218-001-01-4, 4-benzimidazol-2-ylthio-3-methyl-4,5-dihydrothiophene-1,1-dione
| Molecular Formula | C12H12N2O2S2 |
|---|---|
| Molecular Weight | 280.03 g/mol |
| LogP | 2.3558 |
| Topological Polar Surface Area | 62.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 280.03403 |
| Heavy Atoms | 18 |
| Complexity | 698.3703 |
Chemical Identifiers
| CAS Number | 330180-86-4 |
|---|---|
| SMILES | CC1=CS(=O)(=O)CC1SC2=NC3=CC=CC=C3N2 |
Product Overview
4-Benzimidazol-2-ylthio-3-methyl-4,5-dihydrothiophene-1,1-dione (CAS 330180-86-4), with molecular formula C12H12N2O2S2 and molecular weight 280.03 g/mol. IUPAC: 3-(1H-benzimidazol-2-ylsulfanyl)-4-methyl-2,3-dihydrothiophene 1,1-dioxide.
Chemical Property Profile of 4-Benzimidazol-2-ylthio-3-methyl-4,5-dihydrothiophene-1,1-dione
Property Insights of 4-Benzimidazol-2-ylthio-3-methyl-4,5-dihydrothiophene-1,1-dione
The XLogP value of 2.3558 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Benzimidazol-2-ylthio-3-methyl-4,5-dihydrothiophene-1,1-dione. The TPSA of 62.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Benzimidazol-2-ylthio-3-methyl-4,5-dihydrothiophene-1,1-dione. Following Lipinski's Rule of Five, 4-Benzimidazol-2-ylthio-3-methyl-4,5-dihydrothiophene-1,1-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 4-Benzimidazol-2-ylthio-3-methyl-4,5-dihydrothiophene-1,1-dione?
The CAS number of 4-Benzimidazol-2-ylthio-3-methyl-4,5-dihydrothiophene-1,1-dione is 330180-86-4.
What is the molecular formula of 4-Benzimidazol-2-ylthio-3-methyl-4,5-dihydrothiophene-1,1-dione?
The molecular formula of 4-Benzimidazol-2-ylthio-3-methyl-4,5-dihydrothiophene-1,1-dione is C12H12N2O2S2.
What is the molecular weight of 4-Benzimidazol-2-ylthio-3-methyl-4,5-dihydrothiophene-1,1-dione?
The molecular weight of 4-Benzimidazol-2-ylthio-3-methyl-4,5-dihydrothiophene-1,1-dione is 280.03 g/mol.
Where can I buy 4-Benzimidazol-2-ylthio-3-methyl-4,5-dihydrothiophene-1,1-dione?
You can request a quote for 4-Benzimidazol-2-ylthio-3-methyl-4,5-dihydrothiophene-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 4-Benzimidazol-2-ylthio-3-methyl-4,5-dihydrothiophene-1,1-dione?
Yes, KEHONG BIO provides custom synthesis services for 4-Benzimidazol-2-ylthio-3-methyl-4,5-dihydrothiophene-1,1-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.