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Methyl [(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetate
TL;DR: Methyl [(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetate (CAS 51618-31-6) is a chemical compound with molecular formula C10H8N2O4S2 and molecular weight 283.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetate
Also Known As: Methyl 2-[(6-nitro-2-benzothiazolyl)thio]acetate, methyl [(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetate, methyl [(6-nitro-1,3-benzothiazol-2-yl)thio]acetate, methyl 2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetate
| Molecular Formula | C10H8N2O4S2 |
|---|---|
| Molecular Weight | 283.99 g/mol |
| LogP | 2.4696 |
| Topological Polar Surface Area | 82.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 283.99255 |
| Heavy Atoms | 18 |
| Complexity | 610.94354 |
Chemical Identifiers
| CAS Number | 51618-31-6 |
|---|---|
| SMILES | COC(=O)CSC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-] |
Product Overview
Methyl [(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetate (CAS 51618-31-6), with molecular formula C10H8N2O4S2 and molecular weight 283.99 g/mol. IUPAC: methyl 2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetate.
Chemical Property Profile of Methyl [(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetate
Property Insights of Methyl [(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetate
The XLogP value of 2.4696 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl [(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetate. The TPSA of 82.33 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl [(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetate. Following Lipinski's Rule of Five, Methyl [(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetate 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 Methyl [(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetate?
The CAS number of Methyl [(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetate is 51618-31-6.
What is the molecular formula of Methyl [(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetate?
The molecular formula of Methyl [(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetate is C10H8N2O4S2.
What is the molecular weight of Methyl [(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetate?
The molecular weight of Methyl [(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetate is 283.99 g/mol.
Where can I buy Methyl [(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetate?
You can request a quote for Methyl [(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl [(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl [(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.