![[(3-Phenylpropyl)thio]acetic acid structure](/static/products/3013/30134-08-8.webp)
[(3-Phenylpropyl)thio]acetic acid
TL;DR: [(3-Phenylpropyl)thio]acetic acid (CAS 30134-08-8) is a chemical compound with molecular formula C11H14O2S and molecular weight 210.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-phenylpropylsulfanyl)acetic acid
Also Known As: [(3-phenylpropyl)thio]acetic acid|2-[(3-phenylpropyl)sulfanyl]acetic acid|2-(3-phenylpropylsulfanyl)acetic acid|[(3-phenylpropyl)sulfanyl]acetic acid|2-((3-Phenylpropyl)thio)acetic acid|2-[(3-phenylpropyl)sulfanyl]aceticacid|Acetic acid, 2-[(3-phenylpropyl)thio]-|EN300-39849
| Molecular Formula | C11H14O2S |
|---|---|
| Molecular Weight | 210.07 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 210.07146 |
| Heavy Atoms | 14 |
| Complexity | 165.0 |
Chemical Identifiers
| CAS Number | 30134-08-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCCSCC(=O)O |
| InChIKey | BGBJUCFBIKHHMZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
[(3-Phenylpropyl)thio]acetic acid (CAS 30134-08-8), with molecular formula C11H14O2S and molecular weight 210.07 g/mol. IUPAC: 2-(3-phenylpropylsulfanyl)acetic acid.
Chemical Property Profile of [(3-Phenylpropyl)thio]acetic acid
Property Insights of [(3-Phenylpropyl)thio]acetic acid
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(3-Phenylpropyl)thio]acetic acid. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for [(3-Phenylpropyl)thio]acetic acid. Following Lipinski's Rule of Five, [(3-Phenylpropyl)thio]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 [(3-Phenylpropyl)thio]acetic acid?
The CAS number of [(3-Phenylpropyl)thio]acetic acid is 30134-08-8.
What is the molecular formula of [(3-Phenylpropyl)thio]acetic acid?
The molecular formula of [(3-Phenylpropyl)thio]acetic acid is C11H14O2S.
What is the molecular weight of [(3-Phenylpropyl)thio]acetic acid?
The molecular weight of [(3-Phenylpropyl)thio]acetic acid is 210.07 g/mol.
Where can I buy [(3-Phenylpropyl)thio]acetic acid?
You can request a quote for [(3-Phenylpropyl)thio]acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(3-Phenylpropyl)thio]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for [(3-Phenylpropyl)thio]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.