2-(2,6-Dichloro-4-nitrophenyl)sulfanyl-1,3-benzothiazole
TL;DR: 2-(2,6-Dichloro-4-nitrophenyl)sulfanyl-1,3-benzothiazole (CAS 313496-36-5) is a chemical compound with molecular formula C13H6Cl2N2O2S2 and molecular weight 355.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,6-dichloro-4-nitrophenyl)sulfanyl-1,3-benzothiazole
Also Known As: BAS 00327271, 2-(2,6-dichloro-4-nitrophenyl)sulfanyl-1,3-benzothiazole, 2-((2,6-dichloro-4-nitrophenyl)thio)benzo[d]thiazole, 2-[(2,6-dichloro-4-nitrophenyl)sulfanyl]-1,3-benzothiazole, 2-(2,6-Dichloro-4-nitro-phenylsulfanyl)-benzothiazole
| Molecular Formula | C13H6Cl2N2O2S2 |
|---|---|
| Molecular Weight | 355.92 g/mol |
| LogP | 5.6625 |
| Topological Polar Surface Area | 56.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 355.92477 |
| Heavy Atoms | 21 |
| Complexity | 795.0536 |
Chemical Identifiers
| CAS Number | 313496-36-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)SC3=C(C=C(C=C3Cl)[N+](=O)[O-])Cl |
Product Overview
2-(2,6-Dichloro-4-nitrophenyl)sulfanyl-1,3-benzothiazole (CAS 313496-36-5), with molecular formula C13H6Cl2N2O2S2 and molecular weight 355.92 g/mol. IUPAC: 2-(2,6-dichloro-4-nitrophenyl)sulfanyl-1,3-benzothiazole.
Chemical Property Profile of 2-(2,6-Dichloro-4-nitrophenyl)sulfanyl-1,3-benzothiazole
Property Insights of 2-(2,6-Dichloro-4-nitrophenyl)sulfanyl-1,3-benzothiazole
The XLogP value of 5.6625 indicates that 2-(2,6-Dichloro-4-nitrophenyl)sulfanyl-1,3-benzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.03 Ų, 2-(2,6-Dichloro-4-nitrophenyl)sulfanyl-1,3-benzothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2,6-Dichloro-4-nitrophenyl)sulfanyl-1,3-benzothiazole has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(2,6-Dichloro-4-nitrophenyl)sulfanyl-1,3-benzothiazole?
The CAS number of 2-(2,6-Dichloro-4-nitrophenyl)sulfanyl-1,3-benzothiazole is 313496-36-5.
What is the molecular formula of 2-(2,6-Dichloro-4-nitrophenyl)sulfanyl-1,3-benzothiazole?
The molecular formula of 2-(2,6-Dichloro-4-nitrophenyl)sulfanyl-1,3-benzothiazole is C13H6Cl2N2O2S2.
What is the molecular weight of 2-(2,6-Dichloro-4-nitrophenyl)sulfanyl-1,3-benzothiazole?
The molecular weight of 2-(2,6-Dichloro-4-nitrophenyl)sulfanyl-1,3-benzothiazole is 355.92 g/mol.
Where can I buy 2-(2,6-Dichloro-4-nitrophenyl)sulfanyl-1,3-benzothiazole?
You can request a quote for 2-(2,6-Dichloro-4-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-(2,6-Dichloro-4-nitrophenyl)sulfanyl-1,3-benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,6-Dichloro-4-nitrophenyl)sulfanyl-1,3-benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.