2-(1-Isocyanoethyl)-1-benzothiophene
TL;DR: 2-(1-Isocyanoethyl)-1-benzothiophene (CAS 1050511-04-0) is a chemical compound with molecular formula C11H9NS and molecular weight 187.04558 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(1-isocyanoethyl)-1-benzothiophene
Also Known As: 2-(1-isocyanoethyl)-1-benzothiophene, 2-(1-isocyanoethyl)benzothiophene
Technical Specifications
| Molecular Formula | C11H9NS |
| Molecular Weight | 187.04558 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 32.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 187.04558 Da |
| Heavy Atoms | 13 |
| Complexity | 229.0 |
| SMILES | CC(C1=CC2=CC=CC=C2S1)[N+]#[C-] |
| InChIKey | LXTXGLQLHGDVLM-UHFFFAOYSA-N |
Chemical Property Profile of 2-(1-Isocyanoethyl)-1-benzothiophene
Property Insights of 2-(1-Isocyanoethyl)-1-benzothiophene
The XLogP value of 3.0 indicates that 2-(1-Isocyanoethyl)-1-benzothiophene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.6 Ų, 2-(1-Isocyanoethyl)-1-benzothiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1-Isocyanoethyl)-1-benzothiophene 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)-1-benzothiophene?
The CAS number of 2-(1-Isocyanoethyl)-1-benzothiophene is 1050511-04-0.
What is the molecular formula of 2-(1-Isocyanoethyl)-1-benzothiophene?
The molecular formula of 2-(1-Isocyanoethyl)-1-benzothiophene is C11H9NS.
What is the molecular weight of 2-(1-Isocyanoethyl)-1-benzothiophene?
The molecular weight of 2-(1-Isocyanoethyl)-1-benzothiophene is 187.04558 g/mol.
Where can I buy 2-(1-Isocyanoethyl)-1-benzothiophene?
You can request a quote for 2-(1-Isocyanoethyl)-1-benzothiophene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(1-Isocyanoethyl)-1-benzothiophene?
Yes, CoreyChem provides custom synthesis services for 2-(1-Isocyanoethyl)-1-benzothiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.