![Benzoic acid, 2-[(2-methylphenyl)thio]- structure](/static/products/875/87548-96-7.png)
Benzoic acid, 2-[(2-methylphenyl)thio]-
TL;DR: Benzoic acid, 2-[(2-methylphenyl)thio]- (CAS 87548-96-7) is a chemical compound with molecular formula C14H12O2S and molecular weight 244.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-methylphenyl)sulfanylbenzoic acid
Also Known As: Maybridge3_004422, 2-(2-methylphenyl)sulfanylbenzoic acid, Benzoic acid, 2-[(2-methylphenyl)thio]-, 2-(2-methylthiophenoxy)benzoic acid, IDI1_015809
| Molecular Formula | C14H12O2S |
|---|---|
| Molecular Weight | 244.06 g/mol |
| LogP | 3.84442 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 244.0558 |
| Heavy Atoms | 17 |
| Complexity | 549.4234 |
Chemical Identifiers
| CAS Number | 87548-96-7 |
|---|---|
| SMILES | CC1=CC=CC=C1SC2=CC=CC=C2C(=O)O |
Product Overview
Benzoic acid, 2-[(2-methylphenyl)thio]- (CAS 87548-96-7), with molecular formula C14H12O2S and molecular weight 244.06 g/mol. IUPAC: 2-(2-methylphenyl)sulfanylbenzoic acid.
Chemical Property Profile of Benzoic acid, 2-[(2-methylphenyl)thio]-
Property Insights of Benzoic acid, 2-[(2-methylphenyl)thio]-
The XLogP value of 3.84442 indicates that Benzoic acid, 2-[(2-methylphenyl)thio]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, Benzoic acid, 2-[(2-methylphenyl)thio]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 2-[(2-methylphenyl)thio]- has 1 hydrogen bond donor(s) and 2 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-[(2-methylphenyl)thio]-?
The CAS number of Benzoic acid, 2-[(2-methylphenyl)thio]- is 87548-96-7.
What is the molecular formula of Benzoic acid, 2-[(2-methylphenyl)thio]-?
The molecular formula of Benzoic acid, 2-[(2-methylphenyl)thio]- is C14H12O2S.
What is the molecular weight of Benzoic acid, 2-[(2-methylphenyl)thio]-?
The molecular weight of Benzoic acid, 2-[(2-methylphenyl)thio]- is 244.06 g/mol.
Where can I buy Benzoic acid, 2-[(2-methylphenyl)thio]-?
You can request a quote for Benzoic acid, 2-[(2-methylphenyl)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-[(2-methylphenyl)thio]-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-[(2-methylphenyl)thio]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.