Benzoic acid, 2-((2,3-dimethylphenyl)thio)-
TL;DR: Benzoic acid, 2-((2,3-dimethylphenyl)thio)- (CAS 58844-67-0) is a chemical compound with molecular formula C15H14O2S and molecular weight 258.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,3-dimethylphenyl)sulfanylbenzoic acid
Also Known As: o-((2,3-Xylyl)thio)benzoic acid, 2-((2,3-Dimethylphenyl)thio)benzoic acid, 2-(2,3-dimethylphenyl)sulfanylbenzoic acid, Benzoic acid, 2-((2,3-dimethylphenyl)thio)-, BENZOIC ACID, o-((2,3-XYLYL)THIO)-
| Molecular Formula | C15H14O2S |
|---|---|
| Molecular Weight | 258.07 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 258.07144 |
| Heavy Atoms | 18 |
| Complexity | 292.0 |
Chemical Identifiers
| CAS Number | 58844-67-0 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)SC2=CC=CC=C2C(=O)O)C |
| InChIKey | IUHMFGGYIMDALM-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 2-((2,3-dimethylphenyl)thio)- (CAS 58844-67-0), with molecular formula C15H14O2S and molecular weight 258.07 g/mol. IUPAC: 2-(2,3-dimethylphenyl)sulfanylbenzoic acid.
Chemical Property Profile of Benzoic acid, 2-((2,3-dimethylphenyl)thio)-
Property Insights of Benzoic acid, 2-((2,3-dimethylphenyl)thio)-
The XLogP value of 5.1 indicates that Benzoic acid, 2-((2,3-dimethylphenyl)thio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 2-((2,3-dimethylphenyl)thio)-. Following Lipinski's Rule of Five, Benzoic acid, 2-((2,3-dimethylphenyl)thio)- has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzoic acid, 2-((2,3-dimethylphenyl)thio)-?
The CAS number of Benzoic acid, 2-((2,3-dimethylphenyl)thio)- is 58844-67-0.
What is the molecular formula of Benzoic acid, 2-((2,3-dimethylphenyl)thio)-?
The molecular formula of Benzoic acid, 2-((2,3-dimethylphenyl)thio)- is C15H14O2S.
What is the molecular weight of Benzoic acid, 2-((2,3-dimethylphenyl)thio)-?
The molecular weight of Benzoic acid, 2-((2,3-dimethylphenyl)thio)- is 258.07 g/mol.
Where can I buy Benzoic acid, 2-((2,3-dimethylphenyl)thio)-?
You can request a quote for Benzoic acid, 2-((2,3-dimethylphenyl)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-((2,3-dimethylphenyl)thio)-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-((2,3-dimethylphenyl)thio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.