Alpha,alpha-dimethyl-4-nitrobenzyl methyl sulfide
TL;DR: Alpha,alpha-dimethyl-4-nitrobenzyl methyl sulfide (CAS 113109-61-8) is a chemical compound with molecular formula C10H13NO2S and molecular weight 211.0667 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2-methylsulfanylpropan-2-yl)-4-nitrobenzene
Also Known As: ALPHA,ALPHA-DIMETHYL-4-NITROBENZYL METHYL SULFIDE, Methyl(2-(4-nitrophenyl)propan-2-yl)sulfane, 1-(2-methylsulfanylpropan-2-yl)-4-nitrobenzene, 1-(2-methylsulfanylpropan-2-yl)-4-nitro-benzene, 1-[2-(methylsulfanyl)propan-2-yl]-4-nitrobenzene
Technical Specifications
| Molecular Formula | C10H13NO2S |
| Molecular Weight | 211.0667 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 211.0667 Da |
| Heavy Atoms | 14 |
| Complexity | 205.0 |
| SMILES | CC(C)(C1=CC=C(C=C1)[N+](=O)[O-])SC |
| InChIKey | WTMRQRDRQTXCMD-UHFFFAOYSA-N |
Chemical Property Profile of Alpha,alpha-dimethyl-4-nitrobenzyl methyl sulfide
Property Insights of Alpha,alpha-dimethyl-4-nitrobenzyl methyl sulfide
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Alpha,alpha-dimethyl-4-nitrobenzyl methyl sulfide. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Alpha,alpha-dimethyl-4-nitrobenzyl methyl sulfide. Following Lipinski's Rule of Five, Alpha,alpha-dimethyl-4-nitrobenzyl methyl sulfide 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 Alpha,alpha-dimethyl-4-nitrobenzyl methyl sulfide?
The CAS number of Alpha,alpha-dimethyl-4-nitrobenzyl methyl sulfide is 113109-61-8.
What is the molecular formula of Alpha,alpha-dimethyl-4-nitrobenzyl methyl sulfide?
The molecular formula of Alpha,alpha-dimethyl-4-nitrobenzyl methyl sulfide is C10H13NO2S.
What is the molecular weight of Alpha,alpha-dimethyl-4-nitrobenzyl methyl sulfide?
The molecular weight of Alpha,alpha-dimethyl-4-nitrobenzyl methyl sulfide is 211.0667 g/mol.
Where can I buy Alpha,alpha-dimethyl-4-nitrobenzyl methyl sulfide?
You can request a quote for Alpha,alpha-dimethyl-4-nitrobenzyl methyl sulfide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Alpha,alpha-dimethyl-4-nitrobenzyl methyl sulfide?
Yes, CoreyChem provides custom synthesis services for Alpha,alpha-dimethyl-4-nitrobenzyl methyl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.