2-(2-Methylprop-2-enylsulfanyl)-1,3-benzothiazole
TL;DR: 2-(2-Methylprop-2-enylsulfanyl)-1,3-benzothiazole (CAS 133158-13-1) is a chemical compound with molecular formula C11H11NS2 and molecular weight 221.0333 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2-methylprop-2-enylsulfanyl)-1,3-benzothiazole
Also Known As: 2-((2-Methylallyl)thio)benzo[d]thiazole, 2-(2-methylprop-2-enylsulfanyl)-1,3-benzothiazole, 2-(2-methylprop-2-en-1-yl)thiobenzothiazole, 2-[(2-Methyl-2-propen-1-yl)sulfanyl]-1,3-benzothiazole, Benzothiazole, 2-[(2-methyl-2-propenyl)thio]-
Technical Specifications
| Molecular Formula | C11H11NS2 |
| Molecular Weight | 221.0333 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 66.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 221.0333 Da |
| Heavy Atoms | 14 |
| Complexity | 217.0 |
| SMILES | CC(=C)CSC1=NC2=CC=CC=C2S1 |
| InChIKey | LXARVXHJBUFLCE-UHFFFAOYSA-N |
Chemical Property Profile of 2-(2-Methylprop-2-enylsulfanyl)-1,3-benzothiazole
Property Insights of 2-(2-Methylprop-2-enylsulfanyl)-1,3-benzothiazole
The XLogP value of 4.4 indicates that 2-(2-Methylprop-2-enylsulfanyl)-1,3-benzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-Methylprop-2-enylsulfanyl)-1,3-benzothiazole. Following Lipinski's Rule of Five, 2-(2-Methylprop-2-enylsulfanyl)-1,3-benzothiazole 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-(2-Methylprop-2-enylsulfanyl)-1,3-benzothiazole?
The CAS number of 2-(2-Methylprop-2-enylsulfanyl)-1,3-benzothiazole is 133158-13-1.
What is the molecular formula of 2-(2-Methylprop-2-enylsulfanyl)-1,3-benzothiazole?
The molecular formula of 2-(2-Methylprop-2-enylsulfanyl)-1,3-benzothiazole is C11H11NS2.
What is the molecular weight of 2-(2-Methylprop-2-enylsulfanyl)-1,3-benzothiazole?
The molecular weight of 2-(2-Methylprop-2-enylsulfanyl)-1,3-benzothiazole is 221.0333 g/mol.
Where can I buy 2-(2-Methylprop-2-enylsulfanyl)-1,3-benzothiazole?
You can request a quote for 2-(2-Methylprop-2-enylsulfanyl)-1,3-benzothiazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(2-Methylprop-2-enylsulfanyl)-1,3-benzothiazole?
Yes, CoreyChem provides custom synthesis services for 2-(2-Methylprop-2-enylsulfanyl)-1,3-benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.