2-(1-Isocyanoethyl)-5-methylthiophene
TL;DR: 2-(1-Isocyanoethyl)-5-methylthiophene (CAS 1198103-58-0) is a chemical compound with molecular formula C8H9NS and molecular weight 151.04558 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(1-isocyanoethyl)-5-methylthiophene
Also Known As: 2-(1-isocyanoethyl)-5-methylthiophene, 1-(5-METHYL-2-THIENYL)ETHYL ISOCYANIDE, 2-(1-isocyanoethyl)-5-methyl-thiophene, 1-(5-methylthien-2-yl)ethyl isocyanide, (6-(difluoromethoxy)pyridin-3-yl)methylamine
Technical Specifications
| Molecular Formula | C8H9NS |
| Molecular Weight | 151.04558 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 32.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 151.04558 Da |
| Heavy Atoms | 10 |
| Complexity | 158.0 |
| SMILES | CC1=CC=C(S1)C(C)[N+]#[C-] |
| InChIKey | KBPDJOFRFMXQOS-UHFFFAOYSA-N |
Chemical Property Profile of 2-(1-Isocyanoethyl)-5-methylthiophene
Property Insights of 2-(1-Isocyanoethyl)-5-methylthiophene
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1-Isocyanoethyl)-5-methylthiophene. With a topological polar surface area (TPSA) of 32.6 Ų, 2-(1-Isocyanoethyl)-5-methylthiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1-Isocyanoethyl)-5-methylthiophene 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)-5-methylthiophene?
The CAS number of 2-(1-Isocyanoethyl)-5-methylthiophene is 1198103-58-0.
What is the molecular formula of 2-(1-Isocyanoethyl)-5-methylthiophene?
The molecular formula of 2-(1-Isocyanoethyl)-5-methylthiophene is C8H9NS.
What is the molecular weight of 2-(1-Isocyanoethyl)-5-methylthiophene?
The molecular weight of 2-(1-Isocyanoethyl)-5-methylthiophene is 151.04558 g/mol.
Where can I buy 2-(1-Isocyanoethyl)-5-methylthiophene?
You can request a quote for 2-(1-Isocyanoethyl)-5-methylthiophene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(1-Isocyanoethyl)-5-methylthiophene?
Yes, CoreyChem provides custom synthesis services for 2-(1-Isocyanoethyl)-5-methylthiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.