2-Butanone, 3-methyl-1-(3-methyl-2(3H)-benzothiazolylidene)-
TL;DR: 2-Butanone, 3-methyl-1-(3-methyl-2(3H)-benzothiazolylidene)- (CAS 100371-89-9) is a chemical compound with molecular formula C13H15NOS and molecular weight 233.08743 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-methyl-1-(3-methyl-1,3-benzothiazol-2-ylidene)butan-2-one
Also Known As: ChemDiv3_000905, 2-BUTANONE, 3-METHYL-1-(3-METHYL-2(3H)-BENZOTHIAZOLYLIDENE)-, 3-methyl-1-(3-methyl-1,3-benzothiazol-2-ylidene)butan-2-one, 3-Methyl-1-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)butan-2-one
Technical Specifications
| Molecular Formula | C13H15NOS |
| Molecular Weight | 233.08743 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 45.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 233.08743 Da |
| Heavy Atoms | 16 |
| Complexity | 311.0 |
| SMILES | CC(C)C(=O)C=C1N(C2=CC=CC=C2S1)C |
| InChIKey | BTBCUXLMZAUKJX-UHFFFAOYSA-N |
Chemical Property Profile of 2-Butanone, 3-methyl-1-(3-methyl-2(3H)-benzothiazolylidene)-
Property Insights of 2-Butanone, 3-methyl-1-(3-methyl-2(3H)-benzothiazolylidene)-
The XLogP value of 3.3 indicates that 2-Butanone, 3-methyl-1-(3-methyl-2(3H)-benzothiazolylidene)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.6 Ų, 2-Butanone, 3-methyl-1-(3-methyl-2(3H)-benzothiazolylidene)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butanone, 3-methyl-1-(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
What is the CAS number of 2-Butanone, 3-methyl-1-(3-methyl-2(3H)-benzothiazolylidene)-?
The CAS number of 2-Butanone, 3-methyl-1-(3-methyl-2(3H)-benzothiazolylidene)- is 100371-89-9.
What is the molecular formula of 2-Butanone, 3-methyl-1-(3-methyl-2(3H)-benzothiazolylidene)-?
The molecular formula of 2-Butanone, 3-methyl-1-(3-methyl-2(3H)-benzothiazolylidene)- is C13H15NOS.
What is the molecular weight of 2-Butanone, 3-methyl-1-(3-methyl-2(3H)-benzothiazolylidene)-?
The molecular weight of 2-Butanone, 3-methyl-1-(3-methyl-2(3H)-benzothiazolylidene)- is 233.08743 g/mol.
Where can I buy 2-Butanone, 3-methyl-1-(3-methyl-2(3H)-benzothiazolylidene)-?
You can request a quote for 2-Butanone, 3-methyl-1-(3-methyl-2(3H)-benzothiazolylidene)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Butanone, 3-methyl-1-(3-methyl-2(3H)-benzothiazolylidene)-?
Yes, CoreyChem provides custom synthesis services for 2-Butanone, 3-methyl-1-(3-methyl-2(3H)-benzothiazolylidene)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.