2-Propanone, 1-(3-ethyl-2(3H)-benzothiazolylidene)-
TL;DR: 2-Propanone, 1-(3-ethyl-2(3H)-benzothiazolylidene)- (CAS 13861-37-5) is a chemical compound with molecular formula C12H13NOS and molecular weight 219.0718 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(3-ethyl-1,3-benzothiazol-2-ylidene)propan-2-one
Also Known As: 2-Propanone, 1-(3-ethyl-2(3H)-benzothiazolylidene)-, 2-Propanoylidene-3-ethylbenzothiazoline, 1-(3-ethyl-1,3-benzothiazol-2-ylidene)propan-2-one, Thiourea,compd. with hexachloroethane (3:1), 1-(3-ethyl-2(3H)-benzothiazolylidene)-2-Propanone
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H13NOS |
| Molecular Weight | 219.0718 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 45.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 219.0718 Da |
| Heavy Atoms | 15 |
| Complexity | 287.0 |
| SMILES | CCN1C2=CC=CC=C2SC1=CC(=O)C |
| InChIKey | ZAQJHSAPJIMKAM-UHFFFAOYSA-N |
Chemical Property Profile of 2-Propanone, 1-(3-ethyl-2(3H)-benzothiazolylidene)-
Property Insights of 2-Propanone, 1-(3-ethyl-2(3H)-benzothiazolylidene)-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propanone, 1-(3-ethyl-2(3H)-benzothiazolylidene)-. With a topological polar surface area (TPSA) of 45.6 Ų, 2-Propanone, 1-(3-ethyl-2(3H)-benzothiazolylidene)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propanone, 1-(3-ethyl-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
What is the CAS number of 2-Propanone, 1-(3-ethyl-2(3H)-benzothiazolylidene)-?
The CAS number of 2-Propanone, 1-(3-ethyl-2(3H)-benzothiazolylidene)- is 13861-37-5.
What is the molecular formula of 2-Propanone, 1-(3-ethyl-2(3H)-benzothiazolylidene)-?
The molecular formula of 2-Propanone, 1-(3-ethyl-2(3H)-benzothiazolylidene)- is C12H13NOS.
What is the molecular weight of 2-Propanone, 1-(3-ethyl-2(3H)-benzothiazolylidene)-?
The molecular weight of 2-Propanone, 1-(3-ethyl-2(3H)-benzothiazolylidene)- is 219.0718 g/mol.
Where can I buy 2-Propanone, 1-(3-ethyl-2(3H)-benzothiazolylidene)-?
You can request a quote for 2-Propanone, 1-(3-ethyl-2(3H)-benzothiazolylidene)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Propanone, 1-(3-ethyl-2(3H)-benzothiazolylidene)-?
Yes, CoreyChem provides custom synthesis services for 2-Propanone, 1-(3-ethyl-2(3H)-benzothiazolylidene)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.