![2-[(Thien-2-ylmethyl)thio]benzoic acid structure](/static/products/3759/3759-75-9.webp)
2-[(Thien-2-ylmethyl)thio]benzoic acid
TL;DR: 2-[(Thien-2-ylmethyl)thio]benzoic acid (CAS 3759-75-9) is a chemical compound with molecular formula C12H10O2S2 and molecular weight 250.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(thiophen-2-ylmethylsulfanyl)benzoic acid
Also Known As: 2-[(thien-2-ylmethyl)thio]benzoic acid, 2-(thiophen-2-ylmethylsulfanyl)benzoic Acid, 2-[ THIO]BENZOICACID, 2-((Thiophen-2-ylmethyl)thio)benzoic acid, 2-[(thiophen-2-ylmethyl)sulfanyl]benzoic acid
| Molecular Formula | C12H10O2S2 |
|---|---|
| Molecular Weight | 250.01 g/mol |
| LogP | 3.7386 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 250.01222 |
| Heavy Atoms | 16 |
| Complexity | 477.5238 |
Chemical Identifiers
| CAS Number | 3759-75-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)O)SCC2=CC=CS2 |
Product Overview
2-[(Thien-2-ylmethyl)thio]benzoic acid (CAS 3759-75-9), with molecular formula C12H10O2S2 and molecular weight 250.01 g/mol. IUPAC: 2-(thiophen-2-ylmethylsulfanyl)benzoic acid.
Chemical Property Profile of 2-[(Thien-2-ylmethyl)thio]benzoic acid
Property Insights of 2-[(Thien-2-ylmethyl)thio]benzoic acid
The XLogP value of 3.7386 indicates that 2-[(Thien-2-ylmethyl)thio]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 2-[(Thien-2-ylmethyl)thio]benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(Thien-2-ylmethyl)thio]benzoic acid 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 2-[(Thien-2-ylmethyl)thio]benzoic acid?
The CAS number of 2-[(Thien-2-ylmethyl)thio]benzoic acid is 3759-75-9.
What is the molecular formula of 2-[(Thien-2-ylmethyl)thio]benzoic acid?
The molecular formula of 2-[(Thien-2-ylmethyl)thio]benzoic acid is C12H10O2S2.
What is the molecular weight of 2-[(Thien-2-ylmethyl)thio]benzoic acid?
The molecular weight of 2-[(Thien-2-ylmethyl)thio]benzoic acid is 250.01 g/mol.
Where can I buy 2-[(Thien-2-ylmethyl)thio]benzoic acid?
You can request a quote for 2-[(Thien-2-ylmethyl)thio]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(Thien-2-ylmethyl)thio]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(Thien-2-ylmethyl)thio]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.