Ethanone, 2-(2-benzothiazolylthio)-1-(3,5-dimethylpyrazolyl)-
TL;DR: Ethanone, 2-(2-benzothiazolylthio)-1-(3,5-dimethylpyrazolyl)- (CAS 155670-84-1) is a chemical compound with molecular formula C14H13N3OS2 and molecular weight 303.05002 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(1,3-benzothiazol-2-ylsulfanyl)-1-(3,5-dimethylpyrazol-1-yl)ethanone
Also Known As: 2-benzothiazol-2-ylthio-1-(3,5-dimethylpyrazolyl)ethan-1-one, Ethanone, 2-(2-benzothiazolylthio)-1-(3,5-dimethylpyrazolyl)-, 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(3,5-dimethylpyrazol-1-yl)ethanone, 2-(benzo[d]thiazol-2-ylthio)-1-(3,5-dimethyl-1H-pyrazol-1-yl)ethanone, 2-([2-(3,5-Dimethyl-1H-pyrazol-1-yl)-2-oxoethyl]sulfanyl)-1,3-benzothiazole #
Technical Specifications
| Molecular Formula | C14H13N3OS2 |
| Molecular Weight | 303.05002 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 303.05002 Da |
| Heavy Atoms | 20 |
| Complexity | 368.0 |
| SMILES | CC1=CC(=NN1C(=O)CSC2=NC3=CC=CC=C3S2)C |
| InChIKey | SSHGNGPVGMIRKF-UHFFFAOYSA-N |
Chemical Property Profile of Ethanone, 2-(2-benzothiazolylthio)-1-(3,5-dimethylpyrazolyl)-
Property Insights of Ethanone, 2-(2-benzothiazolylthio)-1-(3,5-dimethylpyrazolyl)-
The XLogP value of 3.9 indicates that Ethanone, 2-(2-benzothiazolylthio)-1-(3,5-dimethylpyrazolyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethanone, 2-(2-benzothiazolylthio)-1-(3,5-dimethylpyrazolyl)-. Following Lipinski's Rule of Five, Ethanone, 2-(2-benzothiazolylthio)-1-(3,5-dimethylpyrazolyl)- 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
What is the CAS number of Ethanone, 2-(2-benzothiazolylthio)-1-(3,5-dimethylpyrazolyl)-?
The CAS number of Ethanone, 2-(2-benzothiazolylthio)-1-(3,5-dimethylpyrazolyl)- is 155670-84-1.
What is the molecular formula of Ethanone, 2-(2-benzothiazolylthio)-1-(3,5-dimethylpyrazolyl)-?
The molecular formula of Ethanone, 2-(2-benzothiazolylthio)-1-(3,5-dimethylpyrazolyl)- is C14H13N3OS2.
What is the molecular weight of Ethanone, 2-(2-benzothiazolylthio)-1-(3,5-dimethylpyrazolyl)-?
The molecular weight of Ethanone, 2-(2-benzothiazolylthio)-1-(3,5-dimethylpyrazolyl)- is 303.05002 g/mol.
Where can I buy Ethanone, 2-(2-benzothiazolylthio)-1-(3,5-dimethylpyrazolyl)-?
You can request a quote for Ethanone, 2-(2-benzothiazolylthio)-1-(3,5-dimethylpyrazolyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethanone, 2-(2-benzothiazolylthio)-1-(3,5-dimethylpyrazolyl)-?
Yes, CoreyChem provides custom synthesis services for Ethanone, 2-(2-benzothiazolylthio)-1-(3,5-dimethylpyrazolyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.