2-(2-Isocyanoethyl)-5-methylthiophene
TL;DR: 2-(2-Isocyanoethyl)-5-methylthiophene (CAS 602268-92-8) is a chemical compound with molecular formula C8H9NS and molecular weight 151.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-isocyanoethyl)-5-methylthiophene
Also Known As: 2-(2-isocyanoethyl)-5-methylthiophene, 2-(2-isocyanoethyl)-5-methyl-thiophene
| Molecular Formula | C8H9NS |
|---|---|
| Molecular Weight | 151.05 g/mol |
| LogP | 2.51831 |
| Topological Polar Surface Area | 4.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 151.04558 |
| Heavy Atoms | 10 |
| Complexity | 244.00542 |
Chemical Identifiers
| CAS Number | 602268-92-8 |
|---|---|
| SMILES | CC1=CC=C(S1)CC[N+]#[C-] |
Product Overview
2-(2-Isocyanoethyl)-5-methylthiophene (CAS 602268-92-8), with molecular formula C8H9NS and molecular weight 151.05 g/mol. IUPAC: 2-(2-isocyanoethyl)-5-methylthiophene.
Chemical Property Profile of 2-(2-Isocyanoethyl)-5-methylthiophene
Property Insights of 2-(2-Isocyanoethyl)-5-methylthiophene
The XLogP value of 2.51831 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Isocyanoethyl)-5-methylthiophene. With a topological polar surface area (TPSA) of 4.36 Ų, 2-(2-Isocyanoethyl)-5-methylthiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-Isocyanoethyl)-5-methylthiophene has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(2-Isocyanoethyl)-5-methylthiophene?
The CAS number of 2-(2-Isocyanoethyl)-5-methylthiophene is 602268-92-8.
What is the molecular formula of 2-(2-Isocyanoethyl)-5-methylthiophene?
The molecular formula of 2-(2-Isocyanoethyl)-5-methylthiophene is C8H9NS.
What is the molecular weight of 2-(2-Isocyanoethyl)-5-methylthiophene?
The molecular weight of 2-(2-Isocyanoethyl)-5-methylthiophene is 151.05 g/mol.
Where can I buy 2-(2-Isocyanoethyl)-5-methylthiophene?
You can request a quote for 2-(2-Isocyanoethyl)-5-methylthiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Isocyanoethyl)-5-methylthiophene?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Isocyanoethyl)-5-methylthiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.