(5-methylthiophen-2-yl)methyl Benzoate
TL;DR: (5-methylthiophen-2-yl)methyl Benzoate (CAS 157890-50-1) is a chemical compound with molecular formula C13H12O2S and molecular weight 232.0558 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5-methylthiophen-2-yl)methyl benzoate
Also Known As: (5-methylthiophen-2-yl)methyl Benzoate, 5-Methyl-2-thienylmethyl benzoate, (5-methyl-2-thienyl)methyl benzoate, Benzoic acid (5-methyl-2-thienyl)methyl ester
Technical Specifications
| Molecular Formula | C13H12O2S |
| Molecular Weight | 232.0558 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 54.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 232.0558 Da |
| Heavy Atoms | 16 |
| Complexity | 236.0 |
| SMILES | CC1=CC=C(S1)COC(=O)C2=CC=CC=C2 |
| InChIKey | OYCPSLZIFRQTQO-UHFFFAOYSA-N |
Chemical Property Profile of (5-methylthiophen-2-yl)methyl Benzoate
Property Insights of (5-methylthiophen-2-yl)methyl Benzoate
The XLogP value of 3.4 indicates that (5-methylthiophen-2-yl)methyl Benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.5 Ų, (5-methylthiophen-2-yl)methyl Benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (5-methylthiophen-2-yl)methyl Benzoate has 0 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 (5-methylthiophen-2-yl)methyl Benzoate?
The CAS number of (5-methylthiophen-2-yl)methyl Benzoate is 157890-50-1.
What is the molecular formula of (5-methylthiophen-2-yl)methyl Benzoate?
The molecular formula of (5-methylthiophen-2-yl)methyl Benzoate is C13H12O2S.
What is the molecular weight of (5-methylthiophen-2-yl)methyl Benzoate?
The molecular weight of (5-methylthiophen-2-yl)methyl Benzoate is 232.0558 g/mol.
Where can I buy (5-methylthiophen-2-yl)methyl Benzoate?
You can request a quote for (5-methylthiophen-2-yl)methyl Benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (5-methylthiophen-2-yl)methyl Benzoate?
Yes, CoreyChem provides custom synthesis services for (5-methylthiophen-2-yl)methyl Benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.