N-acetyl-3-carboxy-5-cyanotetrahydro-1,4-2H-thiazine
TL;DR: N-acetyl-3-carboxy-5-cyanotetrahydro-1,4-2H-thiazine (CAS 74514-76-4) is a chemical compound with molecular formula C8H8N2O4S and molecular weight 228.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-acetyl-5-cyano-3-sulfanylidenemorpholine-2-carboxylic acid
Also Known As: Nacctt, 3-Thiomorpholinecarboxylic acid, 4-acetyl-5-cyano-, 4-Acetyl-5-cyano-3-thioxo-2-morpholinecarboxylic acid, N-Acetyl-3-carboxy-5-cyanotetrahydro-1,4-2H-thiazine, 3-Thiomorpholinecarboxylicacid, 4-acetyl-5-cyano-
| Molecular Formula | C8H8N2O4S |
|---|---|
| Molecular Weight | 228.02 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 123.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 228.02048 |
| Heavy Atoms | 15 |
| Complexity | 372.0 |
Chemical Identifiers
| CAS Number | 74514-76-4 |
|---|---|
| SMILES | CC(=O)N1C(COC(C1=S)C(=O)O)C#N |
| InChIKey | HJRFYKCNCXAIPA-UHFFFAOYSA-N |
Product Overview
N-acetyl-3-carboxy-5-cyanotetrahydro-1,4-2H-thiazine (CAS 74514-76-4), with molecular formula C8H8N2O4S and molecular weight 228.02 g/mol. IUPAC: 4-acetyl-5-cyano-3-sulfanylidenemorpholine-2-carboxylic acid.
Chemical Property Profile of N-acetyl-3-carboxy-5-cyanotetrahydro-1,4-2H-thiazine
Property Insights of N-acetyl-3-carboxy-5-cyanotetrahydro-1,4-2H-thiazine
The XLogP value of -0.6 indicates that N-acetyl-3-carboxy-5-cyanotetrahydro-1,4-2H-thiazine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-acetyl-3-carboxy-5-cyanotetrahydro-1,4-2H-thiazine. Following Lipinski's Rule of Five, N-acetyl-3-carboxy-5-cyanotetrahydro-1,4-2H-thiazine has 1 hydrogen bond donor(s) and 6 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 N-acetyl-3-carboxy-5-cyanotetrahydro-1,4-2H-thiazine?
The CAS number of N-acetyl-3-carboxy-5-cyanotetrahydro-1,4-2H-thiazine is 74514-76-4.
What is the molecular formula of N-acetyl-3-carboxy-5-cyanotetrahydro-1,4-2H-thiazine?
The molecular formula of N-acetyl-3-carboxy-5-cyanotetrahydro-1,4-2H-thiazine is C8H8N2O4S.
What is the molecular weight of N-acetyl-3-carboxy-5-cyanotetrahydro-1,4-2H-thiazine?
The molecular weight of N-acetyl-3-carboxy-5-cyanotetrahydro-1,4-2H-thiazine is 228.02 g/mol.
Where can I buy N-acetyl-3-carboxy-5-cyanotetrahydro-1,4-2H-thiazine?
You can request a quote for N-acetyl-3-carboxy-5-cyanotetrahydro-1,4-2H-thiazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-acetyl-3-carboxy-5-cyanotetrahydro-1,4-2H-thiazine?
Yes, KEHONG BIO provides custom synthesis services for N-acetyl-3-carboxy-5-cyanotetrahydro-1,4-2H-thiazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.