4-氧代-2-硫代-3-噻唑烷乙酸
TL;DR: 4-氧代-2-硫代-3-噻唑烷乙酸 (CAS 5718-83-2) is a chemical compound with molecular formula C5H5NO3S2 and molecular weight 190.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-氧代-2-硫代-3-噻唑烷乙酸
2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid
Also Known As: Rhodanine-3-acetic acid, Rhodanine-N-acetic acid, 3-Rhodanineacetic acid, 3-(Carboxymethyl)rhodanine, Chloromesitylene
| Molecular Formula | C5H5NO3S2 |
|---|---|
| Molecular Weight | 190.97 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 190.97108 |
| Heavy Atoms | 11 |
| Complexity | 228.0 |
| Solubility | >28.7 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 5718-83-2 |
|---|---|
| SMILES | C1C(=O)N(C(=S)S1)CC(=O)O |
| InChIKey | JGRMXPSUZIYDRR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-氧代-2-硫代-3-噻唑烷乙酸 (CAS 5718-83-2), with molecular formula C5H5NO3S2 and molecular weight 190.97 g/mol. IUPAC: 2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid.
Chemical Property Profile of 4-氧代-2-硫代-3-噻唑烷乙酸
Property Insights of 4-氧代-2-硫代-3-噻唑烷乙酸
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-氧代-2-硫代-3-噻唑烷乙酸. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-氧代-2-硫代-3-噻唑烷乙酸. Following Lipinski's Rule of Five, 4-氧代-2-硫代-3-噻唑烷乙酸 has 1 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-氧代-2-硫代-3-噻唑烷乙酸?
The CAS number of 4-氧代-2-硫代-3-噻唑烷乙酸 is 5718-83-2.
What is the molecular formula of 4-氧代-2-硫代-3-噻唑烷乙酸?
The molecular formula of 4-氧代-2-硫代-3-噻唑烷乙酸 is C5H5NO3S2.
What is the molecular weight of 4-氧代-2-硫代-3-噻唑烷乙酸?
The molecular weight of 4-氧代-2-硫代-3-噻唑烷乙酸 is 190.97 g/mol.
Where can I buy 4-氧代-2-硫代-3-噻唑烷乙酸?
You can request a quote for 4-氧代-2-硫代-3-噻唑烷乙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-氧代-2-硫代-3-噻唑烷乙酸?
Yes, KEHONG BIO provides custom synthesis services for 4-氧代-2-硫代-3-噻唑烷乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.