4-(1,3-Benzothiazol-2-ylsulfanyl)-3-nitrobenzaldehyde
TL;DR: 4-(1,3-Benzothiazol-2-ylsulfanyl)-3-nitrobenzaldehyde (CAS 565166-61-2) is a chemical compound with molecular formula C14H8N2O3S2 and molecular weight 316.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitrobenzaldehyde
Also Known As: 4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitrobenzaldehyde, 4-(Benzothiazol-2-ylsulfanyl)-3-nitro-benzaldehyde, 4-benzothiazol-2-ylthio-3-nitrobenzaldehyde, 4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitro-benzaldehyde
| Molecular Formula | C14H8N2O3S2 |
|---|---|
| Molecular Weight | 316.00 g/mol |
| LogP | 4.1682 |
| Topological Polar Surface Area | 73.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 315.99762 |
| Heavy Atoms | 21 |
| Complexity | 812.1063 |
Chemical Identifiers
| CAS Number | 565166-61-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)SC3=C(C=C(C=C3)C=O)[N+](=O)[O-] |
Product Overview
4-(1,3-Benzothiazol-2-ylsulfanyl)-3-nitrobenzaldehyde (CAS 565166-61-2), with molecular formula C14H8N2O3S2 and molecular weight 316.00 g/mol. IUPAC: 4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitrobenzaldehyde.
Chemical Property Profile of 4-(1,3-Benzothiazol-2-ylsulfanyl)-3-nitrobenzaldehyde
Property Insights of 4-(1,3-Benzothiazol-2-ylsulfanyl)-3-nitrobenzaldehyde
The XLogP value of 4.1682 indicates that 4-(1,3-Benzothiazol-2-ylsulfanyl)-3-nitrobenzaldehyde 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 4-(1,3-Benzothiazol-2-ylsulfanyl)-3-nitrobenzaldehyde. Following Lipinski's Rule of Five, 4-(1,3-Benzothiazol-2-ylsulfanyl)-3-nitrobenzaldehyde 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-(1,3-Benzothiazol-2-ylsulfanyl)-3-nitrobenzaldehyde?
The CAS number of 4-(1,3-Benzothiazol-2-ylsulfanyl)-3-nitrobenzaldehyde is 565166-61-2.
What is the molecular formula of 4-(1,3-Benzothiazol-2-ylsulfanyl)-3-nitrobenzaldehyde?
The molecular formula of 4-(1,3-Benzothiazol-2-ylsulfanyl)-3-nitrobenzaldehyde is C14H8N2O3S2.
What is the molecular weight of 4-(1,3-Benzothiazol-2-ylsulfanyl)-3-nitrobenzaldehyde?
The molecular weight of 4-(1,3-Benzothiazol-2-ylsulfanyl)-3-nitrobenzaldehyde is 316.00 g/mol.
Where can I buy 4-(1,3-Benzothiazol-2-ylsulfanyl)-3-nitrobenzaldehyde?
You can request a quote for 4-(1,3-Benzothiazol-2-ylsulfanyl)-3-nitrobenzaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1,3-Benzothiazol-2-ylsulfanyl)-3-nitrobenzaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,3-Benzothiazol-2-ylsulfanyl)-3-nitrobenzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.