![2-({4-[(2,4-Dichlorophenoxy)methyl]-2-nitrophenyl}sulfanyl)-1,3-benzothiazole structure](/static/products/4778/477869-58-2.webp)
2-({4-[(2,4-Dichlorophenoxy)methyl]-2-nitrophenyl}sulfanyl)-1,3-benzothiazole
TL;DR: 2-({4-[(2,4-Dichlorophenoxy)methyl]-2-nitrophenyl}sulfanyl)-1,3-benzothiazole (CAS 477869-58-2) is a chemical compound with molecular formula C20H12Cl2N2O3S2 and molecular weight 461.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(2,4-dichlorophenoxy)methyl]-2-nitrophenyl]sulfanyl-1,3-benzothiazole
Also Known As: 1P-677S, 2-({4-[(2,4-dichlorophenoxy)methyl]-2-nitrophenyl}sulfanyl)-1,3-benzothiazole, 2-[4-[(2,4-dichlorophenoxy)methyl]-2-nitrophenyl]sulfanyl-1,3-benzothiazole, 2-[4-[(2,4-dichlorophenoxy)methyl]-2-nitro-phenyl]sulfanylbenzothiazole
| Molecular Formula | C20H12Cl2N2O3S2 |
|---|---|
| Molecular Weight | 461.97 g/mol |
| LogP | 7.2415 |
| Topological Polar Surface Area | 65.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 461.96664 |
| Heavy Atoms | 29 |
| Complexity | 1180.5333 |
Chemical Identifiers
| CAS Number | 477869-58-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)SC3=C(C=C(C=C3)COC4=C(C=C(C=C4)Cl)Cl)[N+](=O)[O-] |
Product Overview
2-({4-[(2,4-Dichlorophenoxy)methyl]-2-nitrophenyl}sulfanyl)-1,3-benzothiazole (CAS 477869-58-2), with molecular formula C20H12Cl2N2O3S2 and molecular weight 461.97 g/mol. IUPAC: 2-[4-[(2,4-dichlorophenoxy)methyl]-2-nitrophenyl]sulfanyl-1,3-benzothiazole.
Chemical Property Profile of 2-({4-[(2,4-Dichlorophenoxy)methyl]-2-nitrophenyl}sulfanyl)-1,3-benzothiazole
Property Insights of 2-({4-[(2,4-Dichlorophenoxy)methyl]-2-nitrophenyl}sulfanyl)-1,3-benzothiazole
The XLogP value of 7.2415 indicates that 2-({4-[(2,4-Dichlorophenoxy)methyl]-2-nitrophenyl}sulfanyl)-1,3-benzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.26 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-({4-[(2,4-Dichlorophenoxy)methyl]-2-nitrophenyl}sulfanyl)-1,3-benzothiazole. Following Lipinski's Rule of Five, 2-({4-[(2,4-Dichlorophenoxy)methyl]-2-nitrophenyl}sulfanyl)-1,3-benzothiazole has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-({4-[(2,4-Dichlorophenoxy)methyl]-2-nitrophenyl}sulfanyl)-1,3-benzothiazole?
The CAS number of 2-({4-[(2,4-Dichlorophenoxy)methyl]-2-nitrophenyl}sulfanyl)-1,3-benzothiazole is 477869-58-2.
What is the molecular formula of 2-({4-[(2,4-Dichlorophenoxy)methyl]-2-nitrophenyl}sulfanyl)-1,3-benzothiazole?
The molecular formula of 2-({4-[(2,4-Dichlorophenoxy)methyl]-2-nitrophenyl}sulfanyl)-1,3-benzothiazole is C20H12Cl2N2O3S2.
What is the molecular weight of 2-({4-[(2,4-Dichlorophenoxy)methyl]-2-nitrophenyl}sulfanyl)-1,3-benzothiazole?
The molecular weight of 2-({4-[(2,4-Dichlorophenoxy)methyl]-2-nitrophenyl}sulfanyl)-1,3-benzothiazole is 461.97 g/mol.
Where can I buy 2-({4-[(2,4-Dichlorophenoxy)methyl]-2-nitrophenyl}sulfanyl)-1,3-benzothiazole?
You can request a quote for 2-({4-[(2,4-Dichlorophenoxy)methyl]-2-nitrophenyl}sulfanyl)-1,3-benzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-({4-[(2,4-Dichlorophenoxy)methyl]-2-nitrophenyl}sulfanyl)-1,3-benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-({4-[(2,4-Dichlorophenoxy)methyl]-2-nitrophenyl}sulfanyl)-1,3-benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.