(辛硫基)乙酸
TL;DR: (辛硫基)乙酸 (CAS 93923-70-7) is a chemical compound with molecular formula C10H20O2S and molecular weight 204.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(辛硫基)乙酸
2-octylsulfanylacetic acid
Also Known As: 2-octylsulfanylacetic acid, (octylsulfanyl)acetic acid, 2-octylthioacetic acid, (Octylthio)acetic acid, octylsulphanylacetic acid
| Molecular Formula | C10H20O2S |
|---|---|
| Molecular Weight | 204.12 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 204.11841 |
| Heavy Atoms | 13 |
| Complexity | 126.0 |
Chemical Identifiers
| CAS Number | 93923-70-7 |
|---|---|
| SMILES | CCCCCCCCSCC(=O)O |
| InChIKey | ZAUNEXPULNQGCU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(辛硫基)乙酸 (CAS 93923-70-7), with molecular formula C10H20O2S and molecular weight 204.12 g/mol. IUPAC: 2-octylsulfanylacetic acid.
Chemical Property Profile of (辛硫基)乙酸
Property Insights of (辛硫基)乙酸
The XLogP value of 3.9 indicates that (辛硫基)乙酸 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 (辛硫基)乙酸. Following Lipinski's Rule of Five, (辛硫基)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 (辛硫基)乙酸?
The CAS number of (辛硫基)乙酸 is 93923-70-7.
What is the molecular formula of (辛硫基)乙酸?
The molecular formula of (辛硫基)乙酸 is C10H20O2S.
What is the molecular weight of (辛硫基)乙酸?
The molecular weight of (辛硫基)乙酸 is 204.12 g/mol.
Where can I buy (辛硫基)乙酸?
You can request a quote for (辛硫基)乙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (辛硫基)乙酸?
Yes, KEHONG BIO provides custom synthesis services for (辛硫基)乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.