1-(1-Isocyanoethyl)-4-methanesulfonylbenzene
TL;DR: 1-(1-Isocyanoethyl)-4-methanesulfonylbenzene (CAS 1038926-50-9) is a chemical compound with molecular formula C10H11NO2S and molecular weight 209.05106 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(1-isocyanoethyl)-4-methylsulfonylbenzene
Also Known As: 1-(1-isocyanoethyl)-4-methanesulfonylbenzene, 1-(1-isocyanoethyl)-4-methylsulfonylbenzene, 1-(1-isocyanoethyl)-4-methylsulfonyl-benzene
Technical Specifications
| Molecular Formula | C10H11NO2S |
| Molecular Weight | 209.05106 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 46.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 209.05106 Da |
| Heavy Atoms | 14 |
| Complexity | 325.0 |
| SMILES | CC(C1=CC=C(C=C1)S(=O)(=O)C)[N+]#[C-] |
| InChIKey | DLKSHFCNBAZDHJ-UHFFFAOYSA-N |
Chemical Property Profile of 1-(1-Isocyanoethyl)-4-methanesulfonylbenzene
Property Insights of 1-(1-Isocyanoethyl)-4-methanesulfonylbenzene
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1-Isocyanoethyl)-4-methanesulfonylbenzene. With a topological polar surface area (TPSA) of 46.9 Ų, 1-(1-Isocyanoethyl)-4-methanesulfonylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1-Isocyanoethyl)-4-methanesulfonylbenzene 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 1-(1-Isocyanoethyl)-4-methanesulfonylbenzene?
The CAS number of 1-(1-Isocyanoethyl)-4-methanesulfonylbenzene is 1038926-50-9.
What is the molecular formula of 1-(1-Isocyanoethyl)-4-methanesulfonylbenzene?
The molecular formula of 1-(1-Isocyanoethyl)-4-methanesulfonylbenzene is C10H11NO2S.
What is the molecular weight of 1-(1-Isocyanoethyl)-4-methanesulfonylbenzene?
The molecular weight of 1-(1-Isocyanoethyl)-4-methanesulfonylbenzene is 209.05106 g/mol.
Where can I buy 1-(1-Isocyanoethyl)-4-methanesulfonylbenzene?
You can request a quote for 1-(1-Isocyanoethyl)-4-methanesulfonylbenzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(1-Isocyanoethyl)-4-methanesulfonylbenzene?
Yes, CoreyChem provides custom synthesis services for 1-(1-Isocyanoethyl)-4-methanesulfonylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.