4-Hydroxy-4-carboxy-3-benzylthiazolidin-2-thione
TL;DR: 4-Hydroxy-4-carboxy-3-benzylthiazolidin-2-thione (CAS 912-18-5) is a chemical compound with molecular formula C11H11NO3S2 and molecular weight 269.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-4-hydroxy-2-sulfanylidene-1,3-thiazolidine-4-carboxylic acid
Also Known As: 4-Hcbtt, 4-Hydroxy-4-carboxy-3-benzylthiazolidin-2-thione, 3-benzyl-4-hydroxy-2-thioxo-1,3-thiazolidine-4-carboxylic acid, 3-benzyl-4-hydroxy-2-sulfanylidene-1,3-thiazolidine-4-carboxylic acid, 4-Thiazolidinecarboxylic acid, 4-hydroxy-3-(phenylmethyl)-2-thioxo-, compd. with N-ethylethanamine (1:1)
| Molecular Formula | C11H11NO3S2 |
|---|---|
| Molecular Weight | 269.02 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 269.01804 |
| Heavy Atoms | 17 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 912-18-5 |
|---|---|
| SMILES | C1C(N(C(=S)S1)CC2=CC=CC=C2)(C(=O)O)O |
| InChIKey | FMTCGWVRQSNLOS-UHFFFAOYSA-N |
Product Overview
4-Hydroxy-4-carboxy-3-benzylthiazolidin-2-thione (CAS 912-18-5), with molecular formula C11H11NO3S2 and molecular weight 269.02 g/mol. IUPAC: 3-benzyl-4-hydroxy-2-sulfanylidene-1,3-thiazolidine-4-carboxylic acid.
Chemical Property Profile of 4-Hydroxy-4-carboxy-3-benzylthiazolidin-2-thione
Property Insights of 4-Hydroxy-4-carboxy-3-benzylthiazolidin-2-thione
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Hydroxy-4-carboxy-3-benzylthiazolidin-2-thione. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Hydroxy-4-carboxy-3-benzylthiazolidin-2-thione. Following Lipinski's Rule of Five, 4-Hydroxy-4-carboxy-3-benzylthiazolidin-2-thione has 2 hydrogen bond donor(s) and 5 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 4-Hydroxy-4-carboxy-3-benzylthiazolidin-2-thione?
The CAS number of 4-Hydroxy-4-carboxy-3-benzylthiazolidin-2-thione is 912-18-5.
What is the molecular formula of 4-Hydroxy-4-carboxy-3-benzylthiazolidin-2-thione?
The molecular formula of 4-Hydroxy-4-carboxy-3-benzylthiazolidin-2-thione is C11H11NO3S2.
What is the molecular weight of 4-Hydroxy-4-carboxy-3-benzylthiazolidin-2-thione?
The molecular weight of 4-Hydroxy-4-carboxy-3-benzylthiazolidin-2-thione is 269.02 g/mol.
Where can I buy 4-Hydroxy-4-carboxy-3-benzylthiazolidin-2-thione?
You can request a quote for 4-Hydroxy-4-carboxy-3-benzylthiazolidin-2-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hydroxy-4-carboxy-3-benzylthiazolidin-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxy-4-carboxy-3-benzylthiazolidin-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.