5-Benzothiazol-2-ylthiofuran-2-carbaldehyde
TL;DR: 5-Benzothiazol-2-ylthiofuran-2-carbaldehyde (CAS 39689-07-1) is a chemical compound with molecular formula C12H7NO2S2 and molecular weight 260.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1,3-benzothiazol-2-ylsulfanyl)furan-2-carbaldehyde
Also Known As: 5-benzothiazol-2-ylthiofuran-2-carbaldehyde, 5-(1,3-Benzothiazol-2-ylsulfanyl)-2-furaldehyde, 5-(Benzothiazol-2-ylsulfanyl)-furan-2-carbaldehyde, Furane-2-carboxaldehyde, 5-(2-benzothiazolylthio)-, 5-(1,3-Benzothiazol-2-ylsulfanyl)-2-furaldehyde #
| Molecular Formula | C12H7NO2S2 |
|---|---|
| Molecular Weight | 260.99 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 96.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 260.99182 |
| Heavy Atoms | 17 |
| Complexity | 290.0 |
Chemical Identifiers
| CAS Number | 39689-07-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)SC3=CC=C(O3)C=O |
| InChIKey | QOMSTOWOVMDUQM-UHFFFAOYSA-N |
Product Overview
5-Benzothiazol-2-ylthiofuran-2-carbaldehyde (CAS 39689-07-1), with molecular formula C12H7NO2S2 and molecular weight 260.99 g/mol. IUPAC: 5-(1,3-benzothiazol-2-ylsulfanyl)furan-2-carbaldehyde.
Chemical Property Profile of 5-Benzothiazol-2-ylthiofuran-2-carbaldehyde
Property Insights of 5-Benzothiazol-2-ylthiofuran-2-carbaldehyde
The XLogP value of 3.9 indicates that 5-Benzothiazol-2-ylthiofuran-2-carbaldehyde is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Benzothiazol-2-ylthiofuran-2-carbaldehyde. Following Lipinski's Rule of Five, 5-Benzothiazol-2-ylthiofuran-2-carbaldehyde has 0 hydrogen bond donor(s) and 5 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 5-Benzothiazol-2-ylthiofuran-2-carbaldehyde?
The CAS number of 5-Benzothiazol-2-ylthiofuran-2-carbaldehyde is 39689-07-1.
What is the molecular formula of 5-Benzothiazol-2-ylthiofuran-2-carbaldehyde?
The molecular formula of 5-Benzothiazol-2-ylthiofuran-2-carbaldehyde is C12H7NO2S2.
What is the molecular weight of 5-Benzothiazol-2-ylthiofuran-2-carbaldehyde?
The molecular weight of 5-Benzothiazol-2-ylthiofuran-2-carbaldehyde is 260.99 g/mol.
Where can I buy 5-Benzothiazol-2-ylthiofuran-2-carbaldehyde?
You can request a quote for 5-Benzothiazol-2-ylthiofuran-2-carbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Benzothiazol-2-ylthiofuran-2-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 5-Benzothiazol-2-ylthiofuran-2-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.