![Benzoic acid, 2-[[(4-methoxyphenyl)methyl]thio]- structure](/static/products/1010/101093-83-8.webp)
Benzoic acid, 2-[[(4-methoxyphenyl)methyl]thio]-
TL;DR: Benzoic acid, 2-[[(4-methoxyphenyl)methyl]thio]- (CAS 101093-83-8) is a chemical compound with molecular formula C15H14O3S and molecular weight 274.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-methoxyphenyl)methylsulfanyl]benzoic acid
Also Known As: 2-(4-Methoxybenzylthio)benzoic acid, Benzoic acid, 2-[[(4-methoxyphenyl)methyl]thio]-, S-(4-methoxybenzyl)thiosalicylic acid, S-(4-methoxybenzyl) thiosalicylic acid, 2-[(4-methoxyphenyl)methylsulfanyl]benzoic Acid
| Molecular Formula | C15H14O3S |
|---|---|
| Molecular Weight | 274.07 g/mol |
| LogP | 3.6857 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 274.06638 |
| Heavy Atoms | 19 |
| Complexity | 563.8583 |
Chemical Identifiers
| CAS Number | 101093-83-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CSC2=CC=CC=C2C(=O)O |
Product Overview
Benzoic acid, 2-[[(4-methoxyphenyl)methyl]thio]- (CAS 101093-83-8), with molecular formula C15H14O3S and molecular weight 274.07 g/mol. IUPAC: 2-[(4-methoxyphenyl)methylsulfanyl]benzoic acid.
Chemical Property Profile of Benzoic acid, 2-[[(4-methoxyphenyl)methyl]thio]-
Property Insights of Benzoic acid, 2-[[(4-methoxyphenyl)methyl]thio]-
The XLogP value of 3.6857 indicates that Benzoic acid, 2-[[(4-methoxyphenyl)methyl]thio]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.53 Ų, Benzoic acid, 2-[[(4-methoxyphenyl)methyl]thio]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 2-[[(4-methoxyphenyl)methyl]thio]- 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 Benzoic acid, 2-[[(4-methoxyphenyl)methyl]thio]-?
The CAS number of Benzoic acid, 2-[[(4-methoxyphenyl)methyl]thio]- is 101093-83-8.
What is the molecular formula of Benzoic acid, 2-[[(4-methoxyphenyl)methyl]thio]-?
The molecular formula of Benzoic acid, 2-[[(4-methoxyphenyl)methyl]thio]- is C15H14O3S.
What is the molecular weight of Benzoic acid, 2-[[(4-methoxyphenyl)methyl]thio]-?
The molecular weight of Benzoic acid, 2-[[(4-methoxyphenyl)methyl]thio]- is 274.07 g/mol.
Where can I buy Benzoic acid, 2-[[(4-methoxyphenyl)methyl]thio]-?
You can request a quote for Benzoic acid, 2-[[(4-methoxyphenyl)methyl]thio]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 2-[[(4-methoxyphenyl)methyl]thio]-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-[[(4-methoxyphenyl)methyl]thio]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.