Alpha,alpha-dimethyl-4-nitrobenzyl phenyl sulfide
TL;DR: Alpha,alpha-dimethyl-4-nitrobenzyl phenyl sulfide (CAS 15013-24-8) is a chemical compound with molecular formula C15H15NO2S and molecular weight 273.08234 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-nitro-4-(2-phenylsulfanylpropan-2-yl)benzene
Also Known As: ALPHA,ALPHA-DIMETHYL-4-NITROBENZYL PHENYL SULFIDE, 1-nitro-4-(2-phenylsulfanylpropan-2-yl)benzene, 659-854-3
Technical Specifications
| Molecular Formula | C15H15NO2S |
| Molecular Weight | 273.08234 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 273.08234 Da |
| Heavy Atoms | 19 |
| Complexity | 300.0 |
| SMILES | CC(C)(C1=CC=C(C=C1)[N+](=O)[O-])SC2=CC=CC=C2 |
| InChIKey | OPTWPQCCDJOHII-UHFFFAOYSA-N |
Chemical Property Profile of Alpha,alpha-dimethyl-4-nitrobenzyl phenyl sulfide
Property Insights of Alpha,alpha-dimethyl-4-nitrobenzyl phenyl sulfide
The XLogP value of 4.3 indicates that Alpha,alpha-dimethyl-4-nitrobenzyl phenyl sulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Alpha,alpha-dimethyl-4-nitrobenzyl phenyl sulfide. Following Lipinski's Rule of Five, Alpha,alpha-dimethyl-4-nitrobenzyl phenyl 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 phenyl sulfide?
The CAS number of Alpha,alpha-dimethyl-4-nitrobenzyl phenyl sulfide is 15013-24-8.
What is the molecular formula of Alpha,alpha-dimethyl-4-nitrobenzyl phenyl sulfide?
The molecular formula of Alpha,alpha-dimethyl-4-nitrobenzyl phenyl sulfide is C15H15NO2S.
What is the molecular weight of Alpha,alpha-dimethyl-4-nitrobenzyl phenyl sulfide?
The molecular weight of Alpha,alpha-dimethyl-4-nitrobenzyl phenyl sulfide is 273.08234 g/mol.
Where can I buy Alpha,alpha-dimethyl-4-nitrobenzyl phenyl sulfide?
You can request a quote for Alpha,alpha-dimethyl-4-nitrobenzyl phenyl 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 phenyl sulfide?
Yes, CoreyChem provides custom synthesis services for Alpha,alpha-dimethyl-4-nitrobenzyl phenyl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.