3-(1H-benzimidazol-2-ylsulfanyl)-1-phenylprop-2-en-1-one
TL;DR: 3-(1H-benzimidazol-2-ylsulfanyl)-1-phenylprop-2-en-1-one (CAS 103742-55-8) is a chemical compound with molecular formula C16H12N2OS and molecular weight 280.06705 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(1H-benzimidazol-2-ylsulfanyl)-1-phenylprop-2-en-1-one
Also Known As: 2-(1-Phenyl-2-propen-1-one)thiobenzimidazole, 3-(1H-benzimidazol-2-ylsulfanyl)-1-phenylprop-2-en-1-one, (Z)-3-((1H-Benzimidazol-2-yl)thio)-1-phenyl-2-propen-1-one, 2-Propen-1-one,3-(1H-benzimidazol-2-ylthio)-1-phenyl-, (Z)- (9CI), 2-Propen-1-one, 3-((1H-benzimidazol-2-yl)thio)-1-phenyl-, (Z)-
Technical Specifications
| Molecular Formula | C16H12N2OS |
| Molecular Weight | 280.06705 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 71.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 280.06705 Da |
| Heavy Atoms | 20 |
| Complexity | 365.0 |
| SMILES | C1=CC=C(C=C1)C(=O)C=CSC2=NC3=CC=CC=C3N2 |
| InChIKey | DOPMUJWDCDQNIH-UHFFFAOYSA-N |
Chemical Property Profile of 3-(1H-benzimidazol-2-ylsulfanyl)-1-phenylprop-2-en-1-one
Property Insights of 3-(1H-benzimidazol-2-ylsulfanyl)-1-phenylprop-2-en-1-one
The XLogP value of 3.8 indicates that 3-(1H-benzimidazol-2-ylsulfanyl)-1-phenylprop-2-en-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1H-benzimidazol-2-ylsulfanyl)-1-phenylprop-2-en-1-one. Following Lipinski's Rule of Five, 3-(1H-benzimidazol-2-ylsulfanyl)-1-phenylprop-2-en-1-one 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
What is the CAS number of 3-(1H-benzimidazol-2-ylsulfanyl)-1-phenylprop-2-en-1-one?
The CAS number of 3-(1H-benzimidazol-2-ylsulfanyl)-1-phenylprop-2-en-1-one is 103742-55-8.
What is the molecular formula of 3-(1H-benzimidazol-2-ylsulfanyl)-1-phenylprop-2-en-1-one?
The molecular formula of 3-(1H-benzimidazol-2-ylsulfanyl)-1-phenylprop-2-en-1-one is C16H12N2OS.
What is the molecular weight of 3-(1H-benzimidazol-2-ylsulfanyl)-1-phenylprop-2-en-1-one?
The molecular weight of 3-(1H-benzimidazol-2-ylsulfanyl)-1-phenylprop-2-en-1-one is 280.06705 g/mol.
Where can I buy 3-(1H-benzimidazol-2-ylsulfanyl)-1-phenylprop-2-en-1-one?
You can request a quote for 3-(1H-benzimidazol-2-ylsulfanyl)-1-phenylprop-2-en-1-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(1H-benzimidazol-2-ylsulfanyl)-1-phenylprop-2-en-1-one?
Yes, CoreyChem provides custom synthesis services for 3-(1H-benzimidazol-2-ylsulfanyl)-1-phenylprop-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.