![Acetic acid, [(6-nitro-2-benzothiazolyl)thio]-, ethyl ester structure](/static/products/5161/51618-32-7.webp)
Acetic acid, [(6-nitro-2-benzothiazolyl)thio]-, ethyl ester
TL;DR: Acetic acid, [(6-nitro-2-benzothiazolyl)thio]-, ethyl ester (CAS 51618-32-7) is a chemical compound with molecular formula C11H10N2O4S2 and molecular weight 298.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetate
Also Known As: ChemDiv1_011441, ethyl 2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetate, Acetic acid, [(6-nitro-2-benzothiazolyl)thio]-, ethyl ester, Ethyl [(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetate, Acetic acid,[(6-nitro-2-benzothiazolyl)thio]-,ethyl ester
| Molecular Formula | C11H10N2O4S2 |
|---|---|
| Molecular Weight | 298.01 g/mol |
| LogP | 2.8597 |
| Topological Polar Surface Area | 82.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 298.0082 |
| Heavy Atoms | 19 |
| Complexity | 626.18274 |
Chemical Identifiers
| CAS Number | 51618-32-7 |
|---|---|
| SMILES | CCOC(=O)CSC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-] |
Product Overview
Acetic acid, [(6-nitro-2-benzothiazolyl)thio]-, ethyl ester (CAS 51618-32-7), with molecular formula C11H10N2O4S2 and molecular weight 298.01 g/mol. IUPAC: ethyl 2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetate.
Chemical Property Profile of Acetic acid, [(6-nitro-2-benzothiazolyl)thio]-, ethyl ester
Property Insights of Acetic acid, [(6-nitro-2-benzothiazolyl)thio]-, ethyl ester
The XLogP value of 2.8597 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, [(6-nitro-2-benzothiazolyl)thio]-, ethyl ester. The TPSA of 82.33 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, [(6-nitro-2-benzothiazolyl)thio]-, ethyl ester. Following Lipinski's Rule of Five, Acetic acid, [(6-nitro-2-benzothiazolyl)thio]-, ethyl ester has 0 hydrogen bond donor(s) and 7 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 Acetic acid, [(6-nitro-2-benzothiazolyl)thio]-, ethyl ester?
The CAS number of Acetic acid, [(6-nitro-2-benzothiazolyl)thio]-, ethyl ester is 51618-32-7.
What is the molecular formula of Acetic acid, [(6-nitro-2-benzothiazolyl)thio]-, ethyl ester?
The molecular formula of Acetic acid, [(6-nitro-2-benzothiazolyl)thio]-, ethyl ester is C11H10N2O4S2.
What is the molecular weight of Acetic acid, [(6-nitro-2-benzothiazolyl)thio]-, ethyl ester?
The molecular weight of Acetic acid, [(6-nitro-2-benzothiazolyl)thio]-, ethyl ester is 298.01 g/mol.
Where can I buy Acetic acid, [(6-nitro-2-benzothiazolyl)thio]-, ethyl ester?
You can request a quote for Acetic acid, [(6-nitro-2-benzothiazolyl)thio]-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, [(6-nitro-2-benzothiazolyl)thio]-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, [(6-nitro-2-benzothiazolyl)thio]-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.