4-(Benzothiazol-2-ylthiomethyl)-1-methoxy-2-nitrobenzene
TL;DR: 4-(Benzothiazol-2-ylthiomethyl)-1-methoxy-2-nitrobenzene (CAS 311317-07-4) is a chemical compound with molecular formula C15H12N2O3S2 and molecular weight 332.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-1,3-benzothiazole
Also Known As: BAS 01172384, 2-((4-methoxy-3-nitrobenzyl)thio)benzo[d]thiazole, 2-(4-Methoxy-3-nitro-benzylsulfanyl)-benzothiazole, 2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-1,3-benzothiazole, 2-({3-nitro-4-methoxybenzyl}sulfanyl)-1,3-benzothiazole
| Molecular Formula | C15H12N2O3S2 |
|---|---|
| Molecular Weight | 332.03 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 332.02893 |
| Heavy Atoms | 22 |
| Complexity | 393.0 |
Chemical Identifiers
| CAS Number | 311317-07-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CSC2=NC3=CC=CC=C3S2)[N+](=O)[O-] |
| InChIKey | AGMOYBSXRXYPHG-UHFFFAOYSA-N |
Product Overview
4-(Benzothiazol-2-ylthiomethyl)-1-methoxy-2-nitrobenzene (CAS 311317-07-4), with molecular formula C15H12N2O3S2 and molecular weight 332.03 g/mol. IUPAC: 2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-1,3-benzothiazole.
Chemical Property Profile of 4-(Benzothiazol-2-ylthiomethyl)-1-methoxy-2-nitrobenzene
Property Insights of 4-(Benzothiazol-2-ylthiomethyl)-1-methoxy-2-nitrobenzene
The XLogP value of 4.5 indicates that 4-(Benzothiazol-2-ylthiomethyl)-1-methoxy-2-nitrobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Benzothiazol-2-ylthiomethyl)-1-methoxy-2-nitrobenzene. Following Lipinski's Rule of Five, 4-(Benzothiazol-2-ylthiomethyl)-1-methoxy-2-nitrobenzene 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 4-(Benzothiazol-2-ylthiomethyl)-1-methoxy-2-nitrobenzene?
The CAS number of 4-(Benzothiazol-2-ylthiomethyl)-1-methoxy-2-nitrobenzene is 311317-07-4.
What is the molecular formula of 4-(Benzothiazol-2-ylthiomethyl)-1-methoxy-2-nitrobenzene?
The molecular formula of 4-(Benzothiazol-2-ylthiomethyl)-1-methoxy-2-nitrobenzene is C15H12N2O3S2.
What is the molecular weight of 4-(Benzothiazol-2-ylthiomethyl)-1-methoxy-2-nitrobenzene?
The molecular weight of 4-(Benzothiazol-2-ylthiomethyl)-1-methoxy-2-nitrobenzene is 332.03 g/mol.
Where can I buy 4-(Benzothiazol-2-ylthiomethyl)-1-methoxy-2-nitrobenzene?
You can request a quote for 4-(Benzothiazol-2-ylthiomethyl)-1-methoxy-2-nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Benzothiazol-2-ylthiomethyl)-1-methoxy-2-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 4-(Benzothiazol-2-ylthiomethyl)-1-methoxy-2-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.