ethyl 3-thioxo-3,4-dihydro-2H-1,4-benzothiazine-2-carboxylate
TL;DR: ethyl 3-thioxo-3,4-dihydro-2H-1,4-benzothiazine-2-carboxylate (CAS 353255-93-3) is a chemical compound with molecular formula C11H11NO2S2 and molecular weight 253.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-sulfanylidene-4H-1,4-benzothiazine-2-carboxylate
Also Known As: AI-204/31683002, ethyl 3-thioxo-3,4-dihydro-2H-1,4-benzothiazine-2-carboxylate, ethyl 3-sulfanylidene-4H-1,4-benzothiazine-2-carboxylate, Ethyl 9-sulfanylidene-7-thia-10-azabicyclo[4.4.0]deca-1,3,5-triene-8-carboxylate
| Molecular Formula | C11H11NO2S2 |
|---|---|
| Molecular Weight | 253.02 g/mol |
| LogP | 2.4633 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 253.02312 |
| Heavy Atoms | 16 |
| Complexity | 433.74768 |
Chemical Identifiers
| CAS Number | 353255-93-3 |
|---|---|
| SMILES | CCOC(=O)C1C(=S)NC2=CC=CC=C2S1 |
Product Overview
ethyl 3-thioxo-3,4-dihydro-2H-1,4-benzothiazine-2-carboxylate (CAS 353255-93-3), with molecular formula C11H11NO2S2 and molecular weight 253.02 g/mol. IUPAC: ethyl 3-sulfanylidene-4H-1,4-benzothiazine-2-carboxylate.
Chemical Property Profile of ethyl 3-thioxo-3,4-dihydro-2H-1,4-benzothiazine-2-carboxylate
Property Insights of ethyl 3-thioxo-3,4-dihydro-2H-1,4-benzothiazine-2-carboxylate
The XLogP value of 2.4633 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 3-thioxo-3,4-dihydro-2H-1,4-benzothiazine-2-carboxylate. With a topological polar surface area (TPSA) of 38.33 Ų, ethyl 3-thioxo-3,4-dihydro-2H-1,4-benzothiazine-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 3-thioxo-3,4-dihydro-2H-1,4-benzothiazine-2-carboxylate has 1 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 ethyl 3-thioxo-3,4-dihydro-2H-1,4-benzothiazine-2-carboxylate?
The CAS number of ethyl 3-thioxo-3,4-dihydro-2H-1,4-benzothiazine-2-carboxylate is 353255-93-3.
What is the molecular formula of ethyl 3-thioxo-3,4-dihydro-2H-1,4-benzothiazine-2-carboxylate?
The molecular formula of ethyl 3-thioxo-3,4-dihydro-2H-1,4-benzothiazine-2-carboxylate is C11H11NO2S2.
What is the molecular weight of ethyl 3-thioxo-3,4-dihydro-2H-1,4-benzothiazine-2-carboxylate?
The molecular weight of ethyl 3-thioxo-3,4-dihydro-2H-1,4-benzothiazine-2-carboxylate is 253.02 g/mol.
Where can I buy ethyl 3-thioxo-3,4-dihydro-2H-1,4-benzothiazine-2-carboxylate?
You can request a quote for ethyl 3-thioxo-3,4-dihydro-2H-1,4-benzothiazine-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 3-thioxo-3,4-dihydro-2H-1,4-benzothiazine-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-thioxo-3,4-dihydro-2H-1,4-benzothiazine-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.