1,3-Dithiolane, 2-(alpha-methylbenzyl)-4-methyl-
TL;DR: 1,3-Dithiolane, 2-(alpha-methylbenzyl)-4-methyl- (CAS 83521-81-7) is a chemical compound with molecular formula C12H16S2 and molecular weight 224.06934 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-methyl-2-(1-phenylethyl)-1,3-dithiolane
Also Known As: 4-methyl-2-(1-phenylethyl)-1,3-dithiolane, 2-(alpha-Methylbenzyl)-4-methyl-1,3-dithiolane, 1,3-DITHIOLANE, 2-(alpha-METHYLBENZYL)-4-METHYL-, 4-Methyl-2-(alpha-methylbenzyl)-1,3-dithiolane, BRN 5510581
Technical Specifications
| Molecular Formula | C12H16S2 |
| Molecular Weight | 224.06934 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 224.06934 Da |
| Heavy Atoms | 14 |
| Complexity | 175.0 |
| SMILES | CC1CSC(S1)C(C)C2=CC=CC=C2 |
| InChIKey | BYDCYSBHNYHCCP-UHFFFAOYSA-N |
Chemical Property Profile of 1,3-Dithiolane, 2-(alpha-methylbenzyl)-4-methyl-
Property Insights of 1,3-Dithiolane, 2-(alpha-methylbenzyl)-4-methyl-
The XLogP value of 4.2 indicates that 1,3-Dithiolane, 2-(alpha-methylbenzyl)-4-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.6 Ų, 1,3-Dithiolane, 2-(alpha-methylbenzyl)-4-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dithiolane, 2-(alpha-methylbenzyl)-4-methyl- 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 1,3-Dithiolane, 2-(alpha-methylbenzyl)-4-methyl-?
The CAS number of 1,3-Dithiolane, 2-(alpha-methylbenzyl)-4-methyl- is 83521-81-7.
What is the molecular formula of 1,3-Dithiolane, 2-(alpha-methylbenzyl)-4-methyl-?
The molecular formula of 1,3-Dithiolane, 2-(alpha-methylbenzyl)-4-methyl- is C12H16S2.
What is the molecular weight of 1,3-Dithiolane, 2-(alpha-methylbenzyl)-4-methyl-?
The molecular weight of 1,3-Dithiolane, 2-(alpha-methylbenzyl)-4-methyl- is 224.06934 g/mol.
Where can I buy 1,3-Dithiolane, 2-(alpha-methylbenzyl)-4-methyl-?
You can request a quote for 1,3-Dithiolane, 2-(alpha-methylbenzyl)-4-methyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3-Dithiolane, 2-(alpha-methylbenzyl)-4-methyl-?
Yes, CoreyChem provides custom synthesis services for 1,3-Dithiolane, 2-(alpha-methylbenzyl)-4-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.