乙硫基乙酸
TL;DR: 乙硫基乙酸 (CAS 627-04-3) is a chemical compound with molecular formula C4H8O2S and molecular weight 120.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
乙硫基乙酸
2-ethylsulfanylacetic acid
Also Known As: (Ethylthio)acetic acid, Ethylthioacetic acid, Acetic acid, (ethylthio)-, 2-(Ethylthio)acetic acid, (ETHYLTHIO)ACETICACID
| Molecular Formula | C4H8O2S |
|---|---|
| Molecular Weight | 120.02 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 120.0245 |
| Heavy Atoms | 7 |
| Complexity | 62.0 |
Chemical Identifiers
| CAS Number | 627-04-3 |
|---|---|
| SMILES | CCSCC(=O)O |
| InChIKey | VJIKFWJCVWFZIN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
乙硫基乙酸 (CAS 627-04-3), with molecular formula C4H8O2S and molecular weight 120.02 g/mol. IUPAC: 2-ethylsulfanylacetic acid.
Chemical Property Profile of 乙硫基乙酸
Property Insights of 乙硫基乙酸
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 乙硫基乙酸. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 乙硫基乙酸. Following Lipinski's Rule of Five, 乙硫基乙酸 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 乙硫基乙酸?
The CAS number of 乙硫基乙酸 is 627-04-3.
What is the molecular formula of 乙硫基乙酸?
The molecular formula of 乙硫基乙酸 is C4H8O2S.
What is the molecular weight of 乙硫基乙酸?
The molecular weight of 乙硫基乙酸 is 120.02 g/mol.
Where can I buy 乙硫基乙酸?
You can request a quote for 乙硫基乙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 乙硫基乙酸?
Yes, KEHONG BIO provides custom synthesis services for 乙硫基乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.