Benzene, 1-(2,2-dimethyl-1-methylenepropyl)-4-(methylthio)-
TL;DR: Benzene, 1-(2,2-dimethyl-1-methylenepropyl)-4-(methylthio)- (CAS 146558-39-6) is a chemical compound with molecular formula C13H18S and molecular weight 206.11292 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(3,3-dimethylbut-1-en-2-yl)-4-methylsulfanylbenzene
Also Known As: Benzene, 1-(2,2-dimethyl-1-methylenepropyl)-4-(methylthio)-, 1-(3,3-dimethylbut-1-en-2-yl)-4-methylsulfanylbenzene, 3,3-Dimethyl-2-[4-(methylthio)phenyl]-1-butene, J1.076.182D, 1-(3,3-dimethylbut-1-en-2-yl)-4-(methylsulfanyl)benzene
Technical Specifications
| Molecular Formula | C13H18S |
| Molecular Weight | 206.11292 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 206.11292 Da |
| Heavy Atoms | 14 |
| Complexity | 192.0 |
| SMILES | CC(C)(C)C(=C)C1=CC=C(C=C1)SC |
| InChIKey | RYYOLWGCONEHGL-UHFFFAOYSA-N |
Chemical Property Profile of Benzene, 1-(2,2-dimethyl-1-methylenepropyl)-4-(methylthio)-
Property Insights of Benzene, 1-(2,2-dimethyl-1-methylenepropyl)-4-(methylthio)-
The XLogP value of 5.1 indicates that Benzene, 1-(2,2-dimethyl-1-methylenepropyl)-4-(methylthio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, Benzene, 1-(2,2-dimethyl-1-methylenepropyl)-4-(methylthio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1-(2,2-dimethyl-1-methylenepropyl)-4-(methylthio)- has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Benzene, 1-(2,2-dimethyl-1-methylenepropyl)-4-(methylthio)-?
The CAS number of Benzene, 1-(2,2-dimethyl-1-methylenepropyl)-4-(methylthio)- is 146558-39-6.
What is the molecular formula of Benzene, 1-(2,2-dimethyl-1-methylenepropyl)-4-(methylthio)-?
The molecular formula of Benzene, 1-(2,2-dimethyl-1-methylenepropyl)-4-(methylthio)- is C13H18S.
What is the molecular weight of Benzene, 1-(2,2-dimethyl-1-methylenepropyl)-4-(methylthio)-?
The molecular weight of Benzene, 1-(2,2-dimethyl-1-methylenepropyl)-4-(methylthio)- is 206.11292 g/mol.
Where can I buy Benzene, 1-(2,2-dimethyl-1-methylenepropyl)-4-(methylthio)-?
You can request a quote for Benzene, 1-(2,2-dimethyl-1-methylenepropyl)-4-(methylthio)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzene, 1-(2,2-dimethyl-1-methylenepropyl)-4-(methylthio)-?
Yes, CoreyChem provides custom synthesis services for Benzene, 1-(2,2-dimethyl-1-methylenepropyl)-4-(methylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.