2-(苯硫基)丙酸
TL;DR: 2-(苯硫基)丙酸 (CAS 146300-52-9) is a chemical compound with molecular formula C9H10O2S and molecular weight 182.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(苯硫基)丙酸
2-phenylsulfanylpropanoic acid
Also Known As: 2-(phenylsulfanyl)propanoic acid, 2-(phenylthio)propanoic acid, 2-phenylsulfanylpropanoic acid, Propanoic acid, 2-(phenylthio)-, 2-(phenylthio)propionic acid
| Molecular Formula | C9H10O2S |
|---|---|
| Molecular Weight | 182.04 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 182.04015 |
| Heavy Atoms | 12 |
| Complexity | 153.0 |
Chemical Identifiers
| CAS Number | 146300-52-9 |
|---|---|
| SMILES | CC(C(=O)O)SC1=CC=CC=C1 |
| InChIKey | SMVCUJHUXYLBIQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(苯硫基)丙酸 (CAS 146300-52-9), with molecular formula C9H10O2S and molecular weight 182.04 g/mol. IUPAC: 2-phenylsulfanylpropanoic acid.
Chemical Property Profile of 2-(苯硫基)丙酸
Property Insights of 2-(苯硫基)丙酸
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(苯硫基)丙酸. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(苯硫基)丙酸. Following Lipinski's Rule of Five, 2-(苯硫基)丙酸 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 2-(苯硫基)丙酸?
The CAS number of 2-(苯硫基)丙酸 is 146300-52-9.
What is the molecular formula of 2-(苯硫基)丙酸?
The molecular formula of 2-(苯硫基)丙酸 is C9H10O2S.
What is the molecular weight of 2-(苯硫基)丙酸?
The molecular weight of 2-(苯硫基)丙酸 is 182.04 g/mol.
Where can I buy 2-(苯硫基)丙酸?
You can request a quote for 2-(苯硫基)丙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(苯硫基)丙酸?
Yes, KEHONG BIO provides custom synthesis services for 2-(苯硫基)丙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.