2-((4-Tert-butylphenyl)sulfanyl)acetic acid
TL;DR: 2-((4-Tert-butylphenyl)sulfanyl)acetic acid (CAS 447-00-7) is a chemical compound with molecular formula C12H16O2S and molecular weight 224.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-tert-butylphenyl)sulfanylacetic acid
Also Known As: 2-[(4-tert-butylphenyl)sulfanyl]acetic acid, [(4-tert-butylphenyl)thio]acetic acid, NCIOpen2_004059, 2-(4-tert-butylphenyl)sulfanylacetic acid, 2-((4-(tert-Butyl)phenyl)thio)acetic acid
| Molecular Formula | C12H16O2S |
|---|---|
| Molecular Weight | 224.09 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 224.0871 |
| Heavy Atoms | 15 |
| Complexity | 212.0 |
Chemical Identifiers
| CAS Number | 447-00-7 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)SCC(=O)O |
| InChIKey | RVMFURNUVGUONB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-((4-Tert-butylphenyl)sulfanyl)acetic acid (CAS 447-00-7), with molecular formula C12H16O2S and molecular weight 224.09 g/mol. IUPAC: 2-(4-tert-butylphenyl)sulfanylacetic acid.
Chemical Property Profile of 2-((4-Tert-butylphenyl)sulfanyl)acetic acid
Property Insights of 2-((4-Tert-butylphenyl)sulfanyl)acetic acid
The XLogP value of 3.6 indicates that 2-((4-Tert-butylphenyl)sulfanyl)acetic acid 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 2-((4-Tert-butylphenyl)sulfanyl)acetic acid. Following Lipinski's Rule of Five, 2-((4-Tert-butylphenyl)sulfanyl)acetic 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-((4-Tert-butylphenyl)sulfanyl)acetic acid?
The CAS number of 2-((4-Tert-butylphenyl)sulfanyl)acetic acid is 447-00-7.
What is the molecular formula of 2-((4-Tert-butylphenyl)sulfanyl)acetic acid?
The molecular formula of 2-((4-Tert-butylphenyl)sulfanyl)acetic acid is C12H16O2S.
What is the molecular weight of 2-((4-Tert-butylphenyl)sulfanyl)acetic acid?
The molecular weight of 2-((4-Tert-butylphenyl)sulfanyl)acetic acid is 224.09 g/mol.
Where can I buy 2-((4-Tert-butylphenyl)sulfanyl)acetic acid?
You can request a quote for 2-((4-Tert-butylphenyl)sulfanyl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-Tert-butylphenyl)sulfanyl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-Tert-butylphenyl)sulfanyl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.