3-(2-phenylethyl)-1,3-benzothiazol-2(3H)-one
TL;DR: 3-(2-phenylethyl)-1,3-benzothiazol-2(3H)-one (CAS 142224-24-6) is a chemical compound with molecular formula C15H13NOS and molecular weight 255.0718 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(2-phenylethyl)-1,3-benzothiazol-2-one
Also Known As: 2(3H)-Benzothiazolone, 3-(2-phenylethyl)-, 3-(2-phenylethyl)-1,3-benzothiazol-2(3H)-one, 3-Phenethyl-3H-benzothiazol-2-one, BAS 08977377, 3-phenethylbenzothiazoline-2-one
Technical Specifications
| Molecular Formula | C15H13NOS |
| Molecular Weight | 255.0718 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 45.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 255.0718 Da |
| Heavy Atoms | 18 |
| Complexity | 301.0 |
| SMILES | C1=CC=C(C=C1)CCN2C3=CC=CC=C3SC2=O |
| InChIKey | LGMFJCRUWDREHO-UHFFFAOYSA-N |
Chemical Property Profile of 3-(2-phenylethyl)-1,3-benzothiazol-2(3H)-one
Property Insights of 3-(2-phenylethyl)-1,3-benzothiazol-2(3H)-one
The XLogP value of 3.9 indicates that 3-(2-phenylethyl)-1,3-benzothiazol-2(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.6 Ų, 3-(2-phenylethyl)-1,3-benzothiazol-2(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-phenylethyl)-1,3-benzothiazol-2(3H)-one has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-(2-phenylethyl)-1,3-benzothiazol-2(3H)-one?
The CAS number of 3-(2-phenylethyl)-1,3-benzothiazol-2(3H)-one is 142224-24-6.
What is the molecular formula of 3-(2-phenylethyl)-1,3-benzothiazol-2(3H)-one?
The molecular formula of 3-(2-phenylethyl)-1,3-benzothiazol-2(3H)-one is C15H13NOS.
What is the molecular weight of 3-(2-phenylethyl)-1,3-benzothiazol-2(3H)-one?
The molecular weight of 3-(2-phenylethyl)-1,3-benzothiazol-2(3H)-one is 255.0718 g/mol.
Where can I buy 3-(2-phenylethyl)-1,3-benzothiazol-2(3H)-one?
You can request a quote for 3-(2-phenylethyl)-1,3-benzothiazol-2(3H)-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(2-phenylethyl)-1,3-benzothiazol-2(3H)-one?
Yes, CoreyChem provides custom synthesis services for 3-(2-phenylethyl)-1,3-benzothiazol-2(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.