ethyl 2-(3-thioxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetate
TL;DR: ethyl 2-(3-thioxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetate (CAS 2832-87-3) is a chemical compound with molecular formula C12H13NO2S2 and molecular weight 267.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(3-sulfanylidene-4H-1,4-benzothiazin-2-yl)acetate
Also Known As: Maybridge1_005076, ethyl 2-(3-thioxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetate, SDCCGMLS-0066139.P001, ethyl 2-(3-sulfanylidene-4H-1,4-benzothiazin-2-yl)acetate, 2H-1,4-Benzothiazine-2-aceticacid, 3,4-dihydro-3-thioxo-, ethyl ester
| Molecular Formula | C12H13NO2S2 |
|---|---|
| Molecular Weight | 267.04 g/mol |
| LogP | 2.8534 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 267.03876 |
| Heavy Atoms | 17 |
| Complexity | 447.8867 |
Chemical Identifiers
| CAS Number | 2832-87-3 |
|---|---|
| SMILES | CCOC(=O)CC1C(=S)NC2=CC=CC=C2S1 |
Product Overview
ethyl 2-(3-thioxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetate (CAS 2832-87-3), with molecular formula C12H13NO2S2 and molecular weight 267.04 g/mol. IUPAC: ethyl 2-(3-sulfanylidene-4H-1,4-benzothiazin-2-yl)acetate.
Chemical Property Profile of ethyl 2-(3-thioxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetate
Property Insights of ethyl 2-(3-thioxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetate
The XLogP value of 2.8534 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-(3-thioxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetate. With a topological polar surface area (TPSA) of 38.33 Ų, ethyl 2-(3-thioxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 2-(3-thioxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)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 ethyl 2-(3-thioxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetate?
The CAS number of ethyl 2-(3-thioxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetate is 2832-87-3.
What is the molecular formula of ethyl 2-(3-thioxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetate?
The molecular formula of ethyl 2-(3-thioxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetate is C12H13NO2S2.
What is the molecular weight of ethyl 2-(3-thioxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetate?
The molecular weight of ethyl 2-(3-thioxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetate is 267.04 g/mol.
Where can I buy ethyl 2-(3-thioxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetate?
You can request a quote for ethyl 2-(3-thioxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-(3-thioxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(3-thioxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.