3-(((Phenylamino)thioxomethyl)thio)-propanoic acid
TL;DR: 3-(((Phenylamino)thioxomethyl)thio)-propanoic acid (CAS 4094-44-4) is a chemical compound with molecular formula C10H11NO2S2 and molecular weight 241.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(phenylcarbamothioylsulfanyl)propanoic acid
Also Known As: Propionic acid, 3-mercapto-, dithiocarbanilate, 3-((Anilinocarbothioyl)thio)propanoic acid, 3-(N-Phenyldithiocarbamoyl)-propanoic acid, 3-(phenylaminothiocarbonylthio)propanoic acid, 3-(phenylcarbamothioylsulfanyl)propanoic acid
| Molecular Formula | C10H11NO2S2 |
|---|---|
| Molecular Weight | 241.02 g/mol |
| LogP | 2.5913 |
| Topological Polar Surface Area | 49.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 241.02312 |
| Heavy Atoms | 15 |
| Complexity | 340.53543 |
Chemical Identifiers
| CAS Number | 4094-44-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=S)SCCC(=O)O |
Product Overview
3-(((Phenylamino)thioxomethyl)thio)-propanoic acid (CAS 4094-44-4), with molecular formula C10H11NO2S2 and molecular weight 241.02 g/mol. IUPAC: 3-(phenylcarbamothioylsulfanyl)propanoic acid.
Chemical Property Profile of 3-(((Phenylamino)thioxomethyl)thio)-propanoic acid
Property Insights of 3-(((Phenylamino)thioxomethyl)thio)-propanoic acid
The XLogP value of 2.5913 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(((Phenylamino)thioxomethyl)thio)-propanoic acid. With a topological polar surface area (TPSA) of 49.33 Ų, 3-(((Phenylamino)thioxomethyl)thio)-propanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(((Phenylamino)thioxomethyl)thio)-propanoic acid has 2 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-(((Phenylamino)thioxomethyl)thio)-propanoic acid?
The CAS number of 3-(((Phenylamino)thioxomethyl)thio)-propanoic acid is 4094-44-4.
What is the molecular formula of 3-(((Phenylamino)thioxomethyl)thio)-propanoic acid?
The molecular formula of 3-(((Phenylamino)thioxomethyl)thio)-propanoic acid is C10H11NO2S2.
What is the molecular weight of 3-(((Phenylamino)thioxomethyl)thio)-propanoic acid?
The molecular weight of 3-(((Phenylamino)thioxomethyl)thio)-propanoic acid is 241.02 g/mol.
Where can I buy 3-(((Phenylamino)thioxomethyl)thio)-propanoic acid?
You can request a quote for 3-(((Phenylamino)thioxomethyl)thio)-propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(((Phenylamino)thioxomethyl)thio)-propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(((Phenylamino)thioxomethyl)thio)-propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.