![1-[4-(1,3-Benzothiazol-2-ylsulfanyl)-3-nitrophenyl]ethanone structure](/static/products/3719/371935-76-1.webp)
1-[4-(1,3-Benzothiazol-2-ylsulfanyl)-3-nitrophenyl]ethanone
TL;DR: 1-[4-(1,3-Benzothiazol-2-ylsulfanyl)-3-nitrophenyl]ethanone (CAS 371935-76-1) 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.
1-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitrophenyl]ethanone
Also Known As: 1-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitrophenyl]ethanone, 1-[4-(2-Benzothiazolylthio)-3-nitrophenyl]ethanone, 1-acetyl-4-benzothiazol-2-ylthio-3-nitrobenzene, AB00101097-01, 1-(4-(benzo[d]thiazol-2-ylthio)-3-nitrophenyl)ethanone
| Molecular Formula | C15H10N2O3S2 |
|---|---|
| Molecular Weight | 330.01 g/mol |
| LogP | 4.5583 |
| Topological Polar Surface Area | 73.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 330.01328 |
| Heavy Atoms | 22 |
| Complexity | 856.3799 |
Chemical Identifiers
| CAS Number | 371935-76-1 |
|---|---|
| SMILES | CC(=O)C1=CC(=C(C=C1)SC2=NC3=CC=CC=C3S2)[N+](=O)[O-] |
Product Overview
1-[4-(1,3-Benzothiazol-2-ylsulfanyl)-3-nitrophenyl]ethanone (CAS 371935-76-1), with molecular formula C15H10N2O3S2 and molecular weight 330.01 g/mol. IUPAC: 1-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitrophenyl]ethanone.
Chemical Property Profile of 1-[4-(1,3-Benzothiazol-2-ylsulfanyl)-3-nitrophenyl]ethanone
Property Insights of 1-[4-(1,3-Benzothiazol-2-ylsulfanyl)-3-nitrophenyl]ethanone
The XLogP value of 4.5583 indicates that 1-[4-(1,3-Benzothiazol-2-ylsulfanyl)-3-nitrophenyl]ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[4-(1,3-Benzothiazol-2-ylsulfanyl)-3-nitrophenyl]ethanone. Following Lipinski's Rule of Five, 1-[4-(1,3-Benzothiazol-2-ylsulfanyl)-3-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 1-[4-(1,3-Benzothiazol-2-ylsulfanyl)-3-nitrophenyl]ethanone?
The CAS number of 1-[4-(1,3-Benzothiazol-2-ylsulfanyl)-3-nitrophenyl]ethanone is 371935-76-1.
What is the molecular formula of 1-[4-(1,3-Benzothiazol-2-ylsulfanyl)-3-nitrophenyl]ethanone?
The molecular formula of 1-[4-(1,3-Benzothiazol-2-ylsulfanyl)-3-nitrophenyl]ethanone is C15H10N2O3S2.
What is the molecular weight of 1-[4-(1,3-Benzothiazol-2-ylsulfanyl)-3-nitrophenyl]ethanone?
The molecular weight of 1-[4-(1,3-Benzothiazol-2-ylsulfanyl)-3-nitrophenyl]ethanone is 330.01 g/mol.
Where can I buy 1-[4-(1,3-Benzothiazol-2-ylsulfanyl)-3-nitrophenyl]ethanone?
You can request a quote for 1-[4-(1,3-Benzothiazol-2-ylsulfanyl)-3-nitrophenyl]ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[4-(1,3-Benzothiazol-2-ylsulfanyl)-3-nitrophenyl]ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-[4-(1,3-Benzothiazol-2-ylsulfanyl)-3-nitrophenyl]ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.