Acetaldehyde, (3-methyl-2(3H)-benzothiazolylidene)-
TL;DR: Acetaldehyde, (3-methyl-2(3H)-benzothiazolylidene)- (CAS 4616-17-5) is a chemical compound with molecular formula C10H9NOS and molecular weight 191.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-methyl-1,3-benzothiazol-2-ylidene)acetaldehyde
Also Known As: Acetaldehyde, (3-methyl-2(3H)-benzothiazolylidene)-, 2-(3-methylbenzothiazol-2-ylidene)acetaldehyde, 2-(3-methyl-1,3-benzothiazol-2-ylidene)acetaldehyde, (3-Methyl-1,3-benzothiazol-2(3H)-ylidene)acetaldehyde
| Molecular Formula | C10H9NOS |
|---|---|
| Molecular Weight | 191.04 g/mol |
| LogP | 2.2688 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 191.04048 |
| Heavy Atoms | 13 |
| Complexity | 372.9424 |
Chemical Identifiers
| CAS Number | 4616-17-5 |
|---|---|
| SMILES | CN1C2=CC=CC=C2SC1=CC=O |
Product Overview
Acetaldehyde, (3-methyl-2(3H)-benzothiazolylidene)- (CAS 4616-17-5), with molecular formula C10H9NOS and molecular weight 191.04 g/mol. IUPAC: 2-(3-methyl-1,3-benzothiazol-2-ylidene)acetaldehyde.
Chemical Property Profile of Acetaldehyde, (3-methyl-2(3H)-benzothiazolylidene)-
Property Insights of Acetaldehyde, (3-methyl-2(3H)-benzothiazolylidene)-
The XLogP value of 2.2688 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetaldehyde, (3-methyl-2(3H)-benzothiazolylidene)-. With a topological polar surface area (TPSA) of 20.31 Ų, Acetaldehyde, (3-methyl-2(3H)-benzothiazolylidene)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetaldehyde, (3-methyl-2(3H)-benzothiazolylidene)- has 0 hydrogen bond donor(s) and 3 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 Acetaldehyde, (3-methyl-2(3H)-benzothiazolylidene)-?
The CAS number of Acetaldehyde, (3-methyl-2(3H)-benzothiazolylidene)- is 4616-17-5.
What is the molecular formula of Acetaldehyde, (3-methyl-2(3H)-benzothiazolylidene)-?
The molecular formula of Acetaldehyde, (3-methyl-2(3H)-benzothiazolylidene)- is C10H9NOS.
What is the molecular weight of Acetaldehyde, (3-methyl-2(3H)-benzothiazolylidene)-?
The molecular weight of Acetaldehyde, (3-methyl-2(3H)-benzothiazolylidene)- is 191.04 g/mol.
Where can I buy Acetaldehyde, (3-methyl-2(3H)-benzothiazolylidene)-?
You can request a quote for Acetaldehyde, (3-methyl-2(3H)-benzothiazolylidene)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetaldehyde, (3-methyl-2(3H)-benzothiazolylidene)-?
Yes, KEHONG BIO provides custom synthesis services for Acetaldehyde, (3-methyl-2(3H)-benzothiazolylidene)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.