3-((4-甲基苯基)硫代)丙酸
TL;DR: 3-((4-甲基苯基)硫代)丙酸 (CAS 13739-35-0) is a chemical compound with molecular formula C10H12O2S and molecular weight 196.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-((4-甲基苯基)硫代)丙酸
3-(4-methylphenyl)sulfanylpropanoic acid
Also Known As: 3-(p-tolylthio)propanoic acid, 3-[(4-methylphenyl)thio]propanoic acid, 3-[(4-Methylphenyl)thio]propionic acid, 4-methoxy-quinoline, 3-p-tolylsulfanyl-propionic acid
| Molecular Formula | C10H12O2S |
|---|---|
| Molecular Weight | 196.06 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 196.0558 |
| Heavy Atoms | 13 |
| Complexity | 162.0 |
Chemical Identifiers
| CAS Number | 13739-35-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SCCC(=O)O |
| InChIKey | ZRYGVBRPRKRFHJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-((4-甲基苯基)硫代)丙酸 (CAS 13739-35-0), with molecular formula C10H12O2S and molecular weight 196.06 g/mol. IUPAC: 3-(4-methylphenyl)sulfanylpropanoic acid.
Chemical Property Profile of 3-((4-甲基苯基)硫代)丙酸
Property Insights of 3-((4-甲基苯基)硫代)丙酸
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((4-甲基苯基)硫代)丙酸. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((4-甲基苯基)硫代)丙酸. Following Lipinski's Rule of Five, 3-((4-甲基苯基)硫代)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-((4-甲基苯基)硫代)丙酸?
The CAS number of 3-((4-甲基苯基)硫代)丙酸 is 13739-35-0.
What is the molecular formula of 3-((4-甲基苯基)硫代)丙酸?
The molecular formula of 3-((4-甲基苯基)硫代)丙酸 is C10H12O2S.
What is the molecular weight of 3-((4-甲基苯基)硫代)丙酸?
The molecular weight of 3-((4-甲基苯基)硫代)丙酸 is 196.06 g/mol.
Where can I buy 3-((4-甲基苯基)硫代)丙酸?
You can request a quote for 3-((4-甲基苯基)硫代)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-((4-甲基苯基)硫代)丙酸?
Yes, KEHONG BIO provides custom synthesis services for 3-((4-甲基苯基)硫代)丙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.