2-(1,3-Benzothiazol-2-ylthio)-1-(4-nitrophenyl)ethanone
TL;DR: 2-(1,3-Benzothiazol-2-ylthio)-1-(4-nitrophenyl)ethanone (CAS 65782-57-2) is a chemical compound with molecular formula C15H10N2O3S2 and molecular weight 330.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzothiazol-2-ylsulfanyl)-1-(4-nitrophenyl)ethanone
Also Known As: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(4-nitrophenyl)ethanone, BAS 01539947, 2-(1,3-benzothiazol-2-ylthio)-1-(4-nitrophenyl)ethanone, 2-(1,3-benzothiazol-2-ylsulfanyl)-1-{4-nitrophenyl}ethanone, 2-benzothiazol-2-ylthio-1-(4-nitrophenyl)ethan-1-one
| Molecular Formula | C15H10N2O3S2 |
|---|---|
| Molecular Weight | 330.01 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 330.01328 |
| Heavy Atoms | 22 |
| Complexity | 422.0 |
Chemical Identifiers
| CAS Number | 65782-57-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)SCC(=O)C3=CC=C(C=C3)[N+](=O)[O-] |
| InChIKey | CEWLFUSODJPNDS-UHFFFAOYSA-N |
Product Overview
2-(1,3-Benzothiazol-2-ylthio)-1-(4-nitrophenyl)ethanone (CAS 65782-57-2), with molecular formula C15H10N2O3S2 and molecular weight 330.01 g/mol. IUPAC: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(4-nitrophenyl)ethanone.
Chemical Property Profile of 2-(1,3-Benzothiazol-2-ylthio)-1-(4-nitrophenyl)ethanone
Property Insights of 2-(1,3-Benzothiazol-2-ylthio)-1-(4-nitrophenyl)ethanone
The XLogP value of 4.3 indicates that 2-(1,3-Benzothiazol-2-ylthio)-1-(4-nitrophenyl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-Benzothiazol-2-ylthio)-1-(4-nitrophenyl)ethanone. Following Lipinski's Rule of Five, 2-(1,3-Benzothiazol-2-ylthio)-1-(4-nitrophenyl)ethanone has 0 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 2-(1,3-Benzothiazol-2-ylthio)-1-(4-nitrophenyl)ethanone?
The CAS number of 2-(1,3-Benzothiazol-2-ylthio)-1-(4-nitrophenyl)ethanone is 65782-57-2.
What is the molecular formula of 2-(1,3-Benzothiazol-2-ylthio)-1-(4-nitrophenyl)ethanone?
The molecular formula of 2-(1,3-Benzothiazol-2-ylthio)-1-(4-nitrophenyl)ethanone is C15H10N2O3S2.
What is the molecular weight of 2-(1,3-Benzothiazol-2-ylthio)-1-(4-nitrophenyl)ethanone?
The molecular weight of 2-(1,3-Benzothiazol-2-ylthio)-1-(4-nitrophenyl)ethanone is 330.01 g/mol.
Where can I buy 2-(1,3-Benzothiazol-2-ylthio)-1-(4-nitrophenyl)ethanone?
You can request a quote for 2-(1,3-Benzothiazol-2-ylthio)-1-(4-nitrophenyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-Benzothiazol-2-ylthio)-1-(4-nitrophenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Benzothiazol-2-ylthio)-1-(4-nitrophenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.