3-(甲硫基)丙酸
TL;DR: 3-(甲硫基)丙酸 (CAS 646-01-5) 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.
3-(甲硫基)丙酸
3-methylsulfanylpropanoic acid
Also Known As: 3-(Methylthio)propionic acid, 3-methylthiopropionate, 4-Thiapentanoic acid, 3-methylthiopropionic acid, 3-(Methylthio)propanoic acid
| Molecular Formula | C4H8O2S |
|---|---|
| Molecular Weight | 120.02 g/mol |
| LogP | 0.4 |
| 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 |
| Boiling Point | 244.00 to 247.00 °C. @ 760.00 mm Hg |
Chemical Identifiers
| CAS Number | 646-01-5 |
|---|---|
| SMILES | CSCCC(=O)O |
| InChIKey | CAOMCZAIALVUPA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(甲硫基)丙酸 (CAS 646-01-5), with molecular formula C4H8O2S and molecular weight 120.02 g/mol. IUPAC: 3-methylsulfanylpropanoic acid.
Chemical Property Profile of 3-(甲硫基)丙酸
Property Insights of 3-(甲硫基)丙酸
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(甲硫基)丙酸. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(甲硫基)丙酸. Following Lipinski's Rule of Five, 3-(甲硫基)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 3-(甲硫基)丙酸?
The CAS number of 3-(甲硫基)丙酸 is 646-01-5.
What is the molecular formula of 3-(甲硫基)丙酸?
The molecular formula of 3-(甲硫基)丙酸 is C4H8O2S.
What is the molecular weight of 3-(甲硫基)丙酸?
The molecular weight of 3-(甲硫基)丙酸 is 120.02 g/mol.
Where can I buy 3-(甲硫基)丙酸?
You can request a quote for 3-(甲硫基)丙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(甲硫基)丙酸?
Yes, KEHONG BIO provides custom synthesis services for 3-(甲硫基)丙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.