![2-benzothiazol-2-ylsulfanyl-3-[5-(4-chloro-3-nitro-phenyl)-2-furyl]prop-2-enenitrile structure](/static/products/546/5469-48-7.png)
2-benzothiazol-2-ylsulfanyl-3-[5-(4-chloro-3-nitro-phenyl)-2-furyl]prop-2-enenitrile
TL;DR: 2-benzothiazol-2-ylsulfanyl-3-[5-(4-chloro-3-nitro-phenyl)-2-furyl]prop-2-enenitrile (CAS 5469-48-7) is a chemical compound with molecular formula C20H10ClN3O3S2 and molecular weight 438.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzothiazol-2-ylsulfanyl)-3-[5-(4-chloro-3-nitrophenyl)furan-2-yl]prop-2-enenitrile
Also Known As: 2-benzothiazol-2-ylsulfanyl-3-[5-(4-chloro-3-nitro-phenyl)-2-furyl]prop-2-enenitrile, 2-(1,3-benzothiazol-2-ylsulfanyl)-3-[5-(4-chloro-3-nitrophenyl)furan-2-yl]prop-2-enenitrile
| Molecular Formula | C20H10ClN3O3S2 |
|---|---|
| Molecular Weight | 438.99 g/mol |
| LogP | 6.77468 |
| Topological Polar Surface Area | 92.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 438.9852 |
| Heavy Atoms | 29 |
| Complexity | 1270.7952 |
Chemical Identifiers
| CAS Number | 5469-48-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)SC(=CC3=CC=C(O3)C4=CC(=C(C=C4)Cl)[N+](=O)[O-])C#N |
Product Overview
2-benzothiazol-2-ylsulfanyl-3-[5-(4-chloro-3-nitro-phenyl)-2-furyl]prop-2-enenitrile (CAS 5469-48-7), with molecular formula C20H10ClN3O3S2 and molecular weight 438.99 g/mol. IUPAC: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-[5-(4-chloro-3-nitrophenyl)furan-2-yl]prop-2-enenitrile.
Chemical Property Profile of 2-benzothiazol-2-ylsulfanyl-3-[5-(4-chloro-3-nitro-phenyl)-2-furyl]prop-2-enenitrile
Property Insights of 2-benzothiazol-2-ylsulfanyl-3-[5-(4-chloro-3-nitro-phenyl)-2-furyl]prop-2-enenitrile
The XLogP value of 6.77468 indicates that 2-benzothiazol-2-ylsulfanyl-3-[5-(4-chloro-3-nitro-phenyl)-2-furyl]prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-benzothiazol-2-ylsulfanyl-3-[5-(4-chloro-3-nitro-phenyl)-2-furyl]prop-2-enenitrile. Following Lipinski's Rule of Five, 2-benzothiazol-2-ylsulfanyl-3-[5-(4-chloro-3-nitro-phenyl)-2-furyl]prop-2-enenitrile has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-benzothiazol-2-ylsulfanyl-3-[5-(4-chloro-3-nitro-phenyl)-2-furyl]prop-2-enenitrile?
The CAS number of 2-benzothiazol-2-ylsulfanyl-3-[5-(4-chloro-3-nitro-phenyl)-2-furyl]prop-2-enenitrile is 5469-48-7.
What is the molecular formula of 2-benzothiazol-2-ylsulfanyl-3-[5-(4-chloro-3-nitro-phenyl)-2-furyl]prop-2-enenitrile?
The molecular formula of 2-benzothiazol-2-ylsulfanyl-3-[5-(4-chloro-3-nitro-phenyl)-2-furyl]prop-2-enenitrile is C20H10ClN3O3S2.
What is the molecular weight of 2-benzothiazol-2-ylsulfanyl-3-[5-(4-chloro-3-nitro-phenyl)-2-furyl]prop-2-enenitrile?
The molecular weight of 2-benzothiazol-2-ylsulfanyl-3-[5-(4-chloro-3-nitro-phenyl)-2-furyl]prop-2-enenitrile is 438.99 g/mol.
Where can I buy 2-benzothiazol-2-ylsulfanyl-3-[5-(4-chloro-3-nitro-phenyl)-2-furyl]prop-2-enenitrile?
You can request a quote for 2-benzothiazol-2-ylsulfanyl-3-[5-(4-chloro-3-nitro-phenyl)-2-furyl]prop-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-benzothiazol-2-ylsulfanyl-3-[5-(4-chloro-3-nitro-phenyl)-2-furyl]prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-benzothiazol-2-ylsulfanyl-3-[5-(4-chloro-3-nitro-phenyl)-2-furyl]prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.