Methyl 3-(2-sulfanylidene-1,3-thiazolidin-3-yl)propanoate
TL;DR: Methyl 3-(2-sulfanylidene-1,3-thiazolidin-3-yl)propanoate (CAS 2275-86-7) is a chemical compound with molecular formula C7H11NO2S2 and molecular weight 205.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(2-sulfanylidene-1,3-thiazolidin-3-yl)propanoate
Also Known As: 2-Thioxo-3-thiazolidinpropionitril, methyl 3-(2-sulfanylidene-1,3-thiazolidin-3-yl)propanoate, 3-Thiazolidinepropanoicacid, 2-thioxo-, methyl ester, methyl 3-(2-thioxo-1,3-thiazolidin-3-yl)propanoate, 2-Thioxo-3-thiazolidinepropanoic acid methyl ester
| Molecular Formula | C7H11NO2S2 |
|---|---|
| Molecular Weight | 205.02 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 86.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 205.02312 |
| Heavy Atoms | 12 |
| Complexity | 196.0 |
Chemical Identifiers
| CAS Number | 2275-86-7 |
|---|---|
| SMILES | COC(=O)CCN1CCSC1=S |
| InChIKey | DCYVIFAPBYXCSR-UHFFFAOYSA-N |
Product Overview
Methyl 3-(2-sulfanylidene-1,3-thiazolidin-3-yl)propanoate (CAS 2275-86-7), with molecular formula C7H11NO2S2 and molecular weight 205.02 g/mol. IUPAC: methyl 3-(2-sulfanylidene-1,3-thiazolidin-3-yl)propanoate.
Chemical Property Profile of Methyl 3-(2-sulfanylidene-1,3-thiazolidin-3-yl)propanoate
Property Insights of Methyl 3-(2-sulfanylidene-1,3-thiazolidin-3-yl)propanoate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(2-sulfanylidene-1,3-thiazolidin-3-yl)propanoate. The TPSA of 86.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-(2-sulfanylidene-1,3-thiazolidin-3-yl)propanoate. Following Lipinski's Rule of Five, Methyl 3-(2-sulfanylidene-1,3-thiazolidin-3-yl)propanoate has 0 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 Methyl 3-(2-sulfanylidene-1,3-thiazolidin-3-yl)propanoate?
The CAS number of Methyl 3-(2-sulfanylidene-1,3-thiazolidin-3-yl)propanoate is 2275-86-7.
What is the molecular formula of Methyl 3-(2-sulfanylidene-1,3-thiazolidin-3-yl)propanoate?
The molecular formula of Methyl 3-(2-sulfanylidene-1,3-thiazolidin-3-yl)propanoate is C7H11NO2S2.
What is the molecular weight of Methyl 3-(2-sulfanylidene-1,3-thiazolidin-3-yl)propanoate?
The molecular weight of Methyl 3-(2-sulfanylidene-1,3-thiazolidin-3-yl)propanoate is 205.02 g/mol.
Where can I buy Methyl 3-(2-sulfanylidene-1,3-thiazolidin-3-yl)propanoate?
You can request a quote for Methyl 3-(2-sulfanylidene-1,3-thiazolidin-3-yl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(2-sulfanylidene-1,3-thiazolidin-3-yl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(2-sulfanylidene-1,3-thiazolidin-3-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.