(丁硫基)乙酸
TL;DR: (丁硫基)乙酸 (CAS 20600-61-7) is a chemical compound with molecular formula C6H12O2S and molecular weight 148.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(丁硫基)乙酸
2-butylsulfanylacetic acid
Also Known As: (Butylthio)acetic acid, 2-butylsulfanylacetic acid, aceticacid, 2-(butylsulfanyl)acetic acid, (butylthio)aceticacid
| Molecular Formula | C6H12O2S |
|---|---|
| Molecular Weight | 148.06 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 148.0558 |
| Heavy Atoms | 9 |
| Complexity | 83.0 |
Chemical Identifiers
| CAS Number | 20600-61-7 |
|---|---|
| SMILES | CCCCSCC(=O)O |
| InChIKey | ILLCGAJCYFLVSV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(丁硫基)乙酸 (CAS 20600-61-7), with molecular formula C6H12O2S and molecular weight 148.06 g/mol. IUPAC: 2-butylsulfanylacetic acid.
Chemical Property Profile of (丁硫基)乙酸
Property Insights of (丁硫基)乙酸
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (丁硫基)乙酸. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (丁硫基)乙酸. Following Lipinski's Rule of Five, (丁硫基)乙酸 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 (丁硫基)乙酸?
The CAS number of (丁硫基)乙酸 is 20600-61-7.
What is the molecular formula of (丁硫基)乙酸?
The molecular formula of (丁硫基)乙酸 is C6H12O2S.
What is the molecular weight of (丁硫基)乙酸?
The molecular weight of (丁硫基)乙酸 is 148.06 g/mol.
Where can I buy (丁硫基)乙酸?
You can request a quote for (丁硫基)乙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (丁硫基)乙酸?
Yes, KEHONG BIO provides custom synthesis services for (丁硫基)乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.