(3S)-5-oxothiomorpholine-3-carboxylic acid
TL;DR: (3S)-5-oxothiomorpholine-3-carboxylic acid (CAS 33163-97-2) is a chemical compound with molecular formula C5H7NO3S and molecular weight 161.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-5-oxothiomorpholine-3-carboxylic acid
Also Known As: (3S)-5-oxothiomorpholine-3-carboxylic acid, 5-oxothiomorpholine-3-carboxylic Acid, 3-Thiomorpholinecarboxylic acid, 5-oxo-, (S)-, 2,2'-Di-tert-butyl-5,5'-dimethyl-4,4'-sulfonyl-di-phenol
| Molecular Formula | C5H7NO3S |
|---|---|
| Molecular Weight | 161.01 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 91.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 161.01466 |
| Heavy Atoms | 10 |
| Complexity | 170.0 |
Chemical Identifiers
| CAS Number | 33163-97-2 |
|---|---|
| SMILES | C1[C@@H](NC(=O)CS1)C(=O)O |
| InChIKey | ZCITVSIKDJSWSS-GSVOUGTGSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(3S)-5-oxothiomorpholine-3-carboxylic acid (CAS 33163-97-2), with molecular formula C5H7NO3S and molecular weight 161.01 g/mol. IUPAC: (3S)-5-oxothiomorpholine-3-carboxylic acid.
Chemical Property Profile of (3S)-5-oxothiomorpholine-3-carboxylic acid
Property Insights of (3S)-5-oxothiomorpholine-3-carboxylic acid
The XLogP value of -0.4 indicates that (3S)-5-oxothiomorpholine-3-carboxylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 91.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (3S)-5-oxothiomorpholine-3-carboxylic acid. Following Lipinski's Rule of Five, (3S)-5-oxothiomorpholine-3-carboxylic acid has 2 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 (3S)-5-oxothiomorpholine-3-carboxylic acid?
The CAS number of (3S)-5-oxothiomorpholine-3-carboxylic acid is 33163-97-2.
What is the molecular formula of (3S)-5-oxothiomorpholine-3-carboxylic acid?
The molecular formula of (3S)-5-oxothiomorpholine-3-carboxylic acid is C5H7NO3S.
What is the molecular weight of (3S)-5-oxothiomorpholine-3-carboxylic acid?
The molecular weight of (3S)-5-oxothiomorpholine-3-carboxylic acid is 161.01 g/mol.
Where can I buy (3S)-5-oxothiomorpholine-3-carboxylic acid?
You can request a quote for (3S)-5-oxothiomorpholine-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3S)-5-oxothiomorpholine-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for (3S)-5-oxothiomorpholine-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.