Methyl 3,4-dihydro-3-thioxo-2H-1,4-benzothiazine-2-acetate
TL;DR: Methyl 3,4-dihydro-3-thioxo-2H-1,4-benzothiazine-2-acetate (CAS 2832-88-4) 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.
methyl 2-(3-sulfanylidene-4H-1,4-benzothiazin-2-yl)acetate
Also Known As: Methyl 3,4-dihydro-3-thioxo-2H-1,4-benzothiazine-2-acetate, methyl 2-(3-sulfanylidene-4H-1,4-benzothiazin-2-yl)acetate, Methyl (3-thioxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetate, Methyl (3-thioxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetate #, 2H-1,4-Benzothiazin-2-acetic acid, 3,4-dihydro-3-thione-, methyl ester
| 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 | 2832-88-4 |
|---|---|
| SMILES | COC(=O)CC1C(=S)NC2=CC=CC=C2S1 |
Product Overview
Methyl 3,4-dihydro-3-thioxo-2H-1,4-benzothiazine-2-acetate (CAS 2832-88-4), with molecular formula C11H11NO2S2 and molecular weight 253.02 g/mol. IUPAC: methyl 2-(3-sulfanylidene-4H-1,4-benzothiazin-2-yl)acetate.
Chemical Property Profile of Methyl 3,4-dihydro-3-thioxo-2H-1,4-benzothiazine-2-acetate
Property Insights of Methyl 3,4-dihydro-3-thioxo-2H-1,4-benzothiazine-2-acetate
The XLogP value of 2.4633 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3,4-dihydro-3-thioxo-2H-1,4-benzothiazine-2-acetate. With a topological polar surface area (TPSA) of 38.33 Ų, Methyl 3,4-dihydro-3-thioxo-2H-1,4-benzothiazine-2-acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3,4-dihydro-3-thioxo-2H-1,4-benzothiazine-2-acetate 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 Methyl 3,4-dihydro-3-thioxo-2H-1,4-benzothiazine-2-acetate?
The CAS number of Methyl 3,4-dihydro-3-thioxo-2H-1,4-benzothiazine-2-acetate is 2832-88-4.
What is the molecular formula of Methyl 3,4-dihydro-3-thioxo-2H-1,4-benzothiazine-2-acetate?
The molecular formula of Methyl 3,4-dihydro-3-thioxo-2H-1,4-benzothiazine-2-acetate is C11H11NO2S2.
What is the molecular weight of Methyl 3,4-dihydro-3-thioxo-2H-1,4-benzothiazine-2-acetate?
The molecular weight of Methyl 3,4-dihydro-3-thioxo-2H-1,4-benzothiazine-2-acetate is 253.02 g/mol.
Where can I buy Methyl 3,4-dihydro-3-thioxo-2H-1,4-benzothiazine-2-acetate?
You can request a quote for Methyl 3,4-dihydro-3-thioxo-2H-1,4-benzothiazine-2-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3,4-dihydro-3-thioxo-2H-1,4-benzothiazine-2-acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3,4-dihydro-3-thioxo-2H-1,4-benzothiazine-2-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.