2-(1-Isocyanoethyl)thiophene
TL;DR: 2-(1-Isocyanoethyl)thiophene (CAS 1050568-36-9) is a chemical compound with molecular formula C7H7NS and molecular weight 137.02992 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(1-isocyanoethyl)thiophene
Also Known As: 2-(1-isocyanoethyl)thiophene
Technical Specifications
| Molecular Formula | C7H7NS |
| Molecular Weight | 137.02992 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 32.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 137.02992 Da |
| Heavy Atoms | 9 |
| Complexity | 135.0 |
| SMILES | CC(C1=CC=CS1)[N+]#[C-] |
| InChIKey | BRIWXJUJCQXRCK-UHFFFAOYSA-N |
Chemical Property Profile of 2-(1-Isocyanoethyl)thiophene
Property Insights of 2-(1-Isocyanoethyl)thiophene
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1-Isocyanoethyl)thiophene. With a topological polar surface area (TPSA) of 32.6 Ų, 2-(1-Isocyanoethyl)thiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1-Isocyanoethyl)thiophene 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 2-(1-Isocyanoethyl)thiophene?
The CAS number of 2-(1-Isocyanoethyl)thiophene is 1050568-36-9.
What is the molecular formula of 2-(1-Isocyanoethyl)thiophene?
The molecular formula of 2-(1-Isocyanoethyl)thiophene is C7H7NS.
What is the molecular weight of 2-(1-Isocyanoethyl)thiophene?
The molecular weight of 2-(1-Isocyanoethyl)thiophene is 137.02992 g/mol.
Where can I buy 2-(1-Isocyanoethyl)thiophene?
You can request a quote for 2-(1-Isocyanoethyl)thiophene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(1-Isocyanoethyl)thiophene?
Yes, CoreyChem provides custom synthesis services for 2-(1-Isocyanoethyl)thiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.