![[(6-Nitro-1,3-benzothiazol-2-yl)thio]acetic acid structure](/static/products/1653/1653-46-9.webp)
[(6-Nitro-1,3-benzothiazol-2-yl)thio]acetic acid
TL;DR: [(6-Nitro-1,3-benzothiazol-2-yl)thio]acetic acid (CAS 1653-46-9) is a chemical compound with molecular formula C9H6N2O4S2 and molecular weight 269.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetic acid
Also Known As: [(6-Nitro-1,3-benzothiazol-2-yl)thio]acetic acid|CBMicro_024721|2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetic acid|BAS 00533666|BIM-0024648.P001|L-3707|(6-Nitro-benzothiazol-2-ylsulfanyl)-acetic acid|[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetic acid|2-(6-nitrobenzo[d]thiazol-2-ylthio)acetic acid|[(6-Nitro-1,3-benzothiazol-2-yl)thio]aceticacid|F0131-0047
| Molecular Formula | C9H6N2O4S2 |
|---|---|
| Molecular Weight | 269.98 g/mol |
| LogP | 2.3812 |
| Topological Polar Surface Area | 93.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 269.9769 |
| Heavy Atoms | 17 |
| Complexity | 595.6934 |
Chemical Identifiers
| CAS Number | 1653-46-9 |
|---|---|
| SMILES | C1=CC2=C(C=C1[N+](=O)[O-])SC(=N2)SCC(=O)O |
Product Overview
[(6-Nitro-1,3-benzothiazol-2-yl)thio]acetic acid (CAS 1653-46-9), with molecular formula C9H6N2O4S2 and molecular weight 269.98 g/mol. IUPAC: 2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetic acid.
Chemical Property Profile of [(6-Nitro-1,3-benzothiazol-2-yl)thio]acetic acid
Property Insights of [(6-Nitro-1,3-benzothiazol-2-yl)thio]acetic acid
The XLogP value of 2.3812 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(6-Nitro-1,3-benzothiazol-2-yl)thio]acetic acid. The TPSA of 93.33 Ų falls within the moderate polarity range, balancing permeability and solubility for [(6-Nitro-1,3-benzothiazol-2-yl)thio]acetic acid. Following Lipinski's Rule of Five, [(6-Nitro-1,3-benzothiazol-2-yl)thio]acetic acid has 1 hydrogen bond donor(s) and 6 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 [(6-Nitro-1,3-benzothiazol-2-yl)thio]acetic acid?
The CAS number of [(6-Nitro-1,3-benzothiazol-2-yl)thio]acetic acid is 1653-46-9.
What is the molecular formula of [(6-Nitro-1,3-benzothiazol-2-yl)thio]acetic acid?
The molecular formula of [(6-Nitro-1,3-benzothiazol-2-yl)thio]acetic acid is C9H6N2O4S2.
What is the molecular weight of [(6-Nitro-1,3-benzothiazol-2-yl)thio]acetic acid?
The molecular weight of [(6-Nitro-1,3-benzothiazol-2-yl)thio]acetic acid is 269.98 g/mol.
Where can I buy [(6-Nitro-1,3-benzothiazol-2-yl)thio]acetic acid?
You can request a quote for [(6-Nitro-1,3-benzothiazol-2-yl)thio]acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(6-Nitro-1,3-benzothiazol-2-yl)thio]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for [(6-Nitro-1,3-benzothiazol-2-yl)thio]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.