3-(Morpholine-4-carbothioylsulfanyl)propanoic acid
TL;DR: 3-(Morpholine-4-carbothioylsulfanyl)propanoic acid (CAS 81994-79-8) is a chemical compound with molecular formula C8H13NO3S2 and molecular weight 235.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(morpholine-4-carbothioylsulfanyl)propanoic acid
Also Known As: 3-(morpholine-4-carbothioylsulfanyl)propanoic acid, 3-((morpholine-4-carbonothioyl)thio)propanoic acid, 3-(Morpholine-4-carbothioylsulfanyl)-propionic acid, 3-(morpholine-4-thiocarbonylmercapto)-propionic acid, 3-[(Morpholine-4-carbothioyl)sulfanyl]propanoic acid
| Molecular Formula | C8H13NO3S2 |
|---|---|
| Molecular Weight | 235.03 g/mol |
| LogP | 0.8114 |
| Topological Polar Surface Area | 49.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 235.03369 |
| Heavy Atoms | 14 |
| Complexity | 216.63193 |
Chemical Identifiers
| CAS Number | 81994-79-8 |
|---|---|
| SMILES | C1COCCN1C(=S)SCCC(=O)O |
Product Overview
3-(Morpholine-4-carbothioylsulfanyl)propanoic acid (CAS 81994-79-8), with molecular formula C8H13NO3S2 and molecular weight 235.03 g/mol. IUPAC: 3-(morpholine-4-carbothioylsulfanyl)propanoic acid.
Chemical Property Profile of 3-(Morpholine-4-carbothioylsulfanyl)propanoic acid
Property Insights of 3-(Morpholine-4-carbothioylsulfanyl)propanoic acid
The XLogP value of 0.8114 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Morpholine-4-carbothioylsulfanyl)propanoic acid. With a topological polar surface area (TPSA) of 49.77 Ų, 3-(Morpholine-4-carbothioylsulfanyl)propanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Morpholine-4-carbothioylsulfanyl)propanoic acid has 1 hydrogen bond donor(s) and 4 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-(Morpholine-4-carbothioylsulfanyl)propanoic acid?
The CAS number of 3-(Morpholine-4-carbothioylsulfanyl)propanoic acid is 81994-79-8.
What is the molecular formula of 3-(Morpholine-4-carbothioylsulfanyl)propanoic acid?
The molecular formula of 3-(Morpholine-4-carbothioylsulfanyl)propanoic acid is C8H13NO3S2.
What is the molecular weight of 3-(Morpholine-4-carbothioylsulfanyl)propanoic acid?
The molecular weight of 3-(Morpholine-4-carbothioylsulfanyl)propanoic acid is 235.03 g/mol.
Where can I buy 3-(Morpholine-4-carbothioylsulfanyl)propanoic acid?
You can request a quote for 3-(Morpholine-4-carbothioylsulfanyl)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-(Morpholine-4-carbothioylsulfanyl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(Morpholine-4-carbothioylsulfanyl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.