3-(p-Tolylcarbamothioylsulfanyl)propanoic acid
TL;DR: 3-(p-Tolylcarbamothioylsulfanyl)propanoic acid (CAS 4240-94-2) is a chemical compound with molecular formula C11H13NO2S2 and molecular weight 255.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-methylphenyl)carbamothioylsulfanyl]propanoic acid
Also Known As: 3-(p-tolylcarbamothioylsulfanyl)propanoic acid, NCI60_009495, 3-((4-Toluidinocarbothioyl)thio)propanoic acid, 3-[N-(4-Methylphenyldithiocarbamoyl)]-propanoic acid, {3-[N-(4-Methylphenyldithiocarbamoyl)]-propanoic} acid
| Molecular Formula | C11H13NO2S2 |
|---|---|
| Molecular Weight | 255.04 g/mol |
| LogP | 2.89972 |
| Topological Polar Surface Area | 49.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 255.03877 |
| Heavy Atoms | 16 |
| Complexity | 376.07587 |
Chemical Identifiers
| CAS Number | 4240-94-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=S)SCCC(=O)O |
Product Overview
3-(p-Tolylcarbamothioylsulfanyl)propanoic acid (CAS 4240-94-2), with molecular formula C11H13NO2S2 and molecular weight 255.04 g/mol. IUPAC: 3-[(4-methylphenyl)carbamothioylsulfanyl]propanoic acid.
Chemical Property Profile of 3-(p-Tolylcarbamothioylsulfanyl)propanoic acid
Property Insights of 3-(p-Tolylcarbamothioylsulfanyl)propanoic acid
The XLogP value of 2.89972 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(p-Tolylcarbamothioylsulfanyl)propanoic acid. With a topological polar surface area (TPSA) of 49.33 Ų, 3-(p-Tolylcarbamothioylsulfanyl)propanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(p-Tolylcarbamothioylsulfanyl)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-(p-Tolylcarbamothioylsulfanyl)propanoic acid?
The CAS number of 3-(p-Tolylcarbamothioylsulfanyl)propanoic acid is 4240-94-2.
What is the molecular formula of 3-(p-Tolylcarbamothioylsulfanyl)propanoic acid?
The molecular formula of 3-(p-Tolylcarbamothioylsulfanyl)propanoic acid is C11H13NO2S2.
What is the molecular weight of 3-(p-Tolylcarbamothioylsulfanyl)propanoic acid?
The molecular weight of 3-(p-Tolylcarbamothioylsulfanyl)propanoic acid is 255.04 g/mol.
Where can I buy 3-(p-Tolylcarbamothioylsulfanyl)propanoic acid?
You can request a quote for 3-(p-Tolylcarbamothioylsulfanyl)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-(p-Tolylcarbamothioylsulfanyl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(p-Tolylcarbamothioylsulfanyl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.