2-(1,3-Benzothiazol-2-ylsulfanyl)-5-nitrobenzaldehyde
TL;DR: 2-(1,3-Benzothiazol-2-ylsulfanyl)-5-nitrobenzaldehyde (CAS 730951-41-4) 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.
2-(1,3-benzothiazol-2-ylsulfanyl)-5-nitrobenzaldehyde
Also Known As: 2-(1,3-benzothiazol-2-ylsulfanyl)-5-nitrobenzaldehyde, 2-(Benzothiazol-2-ylsulfanyl)-5-nitro-benzaldehyde, 2-benzothiazol-2-ylthio-5-nitrobenzaldehyde, 2-(1,3-benzothiazol-2-ylsulfanyl)-5-nitro-benzaldehyde, C14H8N2O3S2
| 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 | 730951-41-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)SC3=C(C=C(C=C3)[N+](=O)[O-])C=O |
Product Overview
2-(1,3-Benzothiazol-2-ylsulfanyl)-5-nitrobenzaldehyde (CAS 730951-41-4), with molecular formula C14H8N2O3S2 and molecular weight 316.00 g/mol. IUPAC: 2-(1,3-benzothiazol-2-ylsulfanyl)-5-nitrobenzaldehyde.
Chemical Property Profile of 2-(1,3-Benzothiazol-2-ylsulfanyl)-5-nitrobenzaldehyde
Property Insights of 2-(1,3-Benzothiazol-2-ylsulfanyl)-5-nitrobenzaldehyde
The XLogP value of 4.1682 indicates that 2-(1,3-Benzothiazol-2-ylsulfanyl)-5-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 2-(1,3-Benzothiazol-2-ylsulfanyl)-5-nitrobenzaldehyde. Following Lipinski's Rule of Five, 2-(1,3-Benzothiazol-2-ylsulfanyl)-5-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 2-(1,3-Benzothiazol-2-ylsulfanyl)-5-nitrobenzaldehyde?
The CAS number of 2-(1,3-Benzothiazol-2-ylsulfanyl)-5-nitrobenzaldehyde is 730951-41-4.
What is the molecular formula of 2-(1,3-Benzothiazol-2-ylsulfanyl)-5-nitrobenzaldehyde?
The molecular formula of 2-(1,3-Benzothiazol-2-ylsulfanyl)-5-nitrobenzaldehyde is C14H8N2O3S2.
What is the molecular weight of 2-(1,3-Benzothiazol-2-ylsulfanyl)-5-nitrobenzaldehyde?
The molecular weight of 2-(1,3-Benzothiazol-2-ylsulfanyl)-5-nitrobenzaldehyde is 316.00 g/mol.
Where can I buy 2-(1,3-Benzothiazol-2-ylsulfanyl)-5-nitrobenzaldehyde?
You can request a quote for 2-(1,3-Benzothiazol-2-ylsulfanyl)-5-nitrobenzaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-Benzothiazol-2-ylsulfanyl)-5-nitrobenzaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Benzothiazol-2-ylsulfanyl)-5-nitrobenzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.