S-(1,3-benzothiazol-2-yl) ethanethioate
TL;DR: S-(1,3-benzothiazol-2-yl) ethanethioate (CAS 105611-05-0) is a chemical compound with molecular formula C9H7NOS2 and molecular weight 208.9969 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
S-(1,3-benzothiazol-2-yl) ethanethioate
Also Known As: 2-(Acetylthio)benzothiazole, S-(1,3-benzothiazol-2-yl) ethanethioate, 1-benzothiazol-2-ylthioethan-1-one, S-benzo[d]thiazol-2-yl ethanethioate, 1-benzothiazol-2-ylsulfanylethanone
Technical Specifications
| Molecular Formula | C9H7NOS2 |
| Molecular Weight | 208.9969 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 83.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 208.9969 Da |
| Heavy Atoms | 13 |
| Complexity | 210.0 |
| SMILES | CC(=O)SC1=NC2=CC=CC=C2S1 |
| InChIKey | QURYOQAUYILEOH-UHFFFAOYSA-N |
Chemical Property Profile of S-(1,3-benzothiazol-2-yl) ethanethioate
Property Insights of S-(1,3-benzothiazol-2-yl) ethanethioate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-(1,3-benzothiazol-2-yl) ethanethioate. The TPSA of 83.5 Ų falls within the moderate polarity range, balancing permeability and solubility for S-(1,3-benzothiazol-2-yl) ethanethioate. Following Lipinski's Rule of Five, S-(1,3-benzothiazol-2-yl) ethanethioate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of S-(1,3-benzothiazol-2-yl) ethanethioate?
The CAS number of S-(1,3-benzothiazol-2-yl) ethanethioate is 105611-05-0.
What is the molecular formula of S-(1,3-benzothiazol-2-yl) ethanethioate?
The molecular formula of S-(1,3-benzothiazol-2-yl) ethanethioate is C9H7NOS2.
What is the molecular weight of S-(1,3-benzothiazol-2-yl) ethanethioate?
The molecular weight of S-(1,3-benzothiazol-2-yl) ethanethioate is 208.9969 g/mol.
Where can I buy S-(1,3-benzothiazol-2-yl) ethanethioate?
You can request a quote for S-(1,3-benzothiazol-2-yl) ethanethioate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for S-(1,3-benzothiazol-2-yl) ethanethioate?
Yes, CoreyChem provides custom synthesis services for S-(1,3-benzothiazol-2-yl) ethanethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.