2-(2-Isocyanatoethyl)thiophene
TL;DR: 2-(2-Isocyanatoethyl)thiophene (CAS 58749-51-2) is a chemical compound with molecular formula C7H7NOS and molecular weight 153.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-isocyanatoethyl)thiophene
Also Known As: 2-(2-isocyanatoethyl)thiophene, 2-(Thien-2-yl)ethyl isocyanate, 2-(2-thienyl)ethyl isocyanate, 2-(THIEN-2-YL)ETHylisoCYANATE, Thiophene,2-(2-isocyanatoethyl)-
| Molecular Formula | C7H7NOS |
|---|---|
| Molecular Weight | 153.02 g/mol |
| LogP | 1.6264 |
| Topological Polar Surface Area | 29.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 153.02484 |
| Heavy Atoms | 10 |
| Complexity | 223.76396 |
Chemical Identifiers
| CAS Number | 58749-51-2 |
|---|---|
| SMILES | C1=CSC(=C1)CCN=C=O |
Product Overview
2-(2-Isocyanatoethyl)thiophene (CAS 58749-51-2), with molecular formula C7H7NOS and molecular weight 153.02 g/mol. IUPAC: 2-(2-isocyanatoethyl)thiophene.
Chemical Property Profile of 2-(2-Isocyanatoethyl)thiophene
Property Insights of 2-(2-Isocyanatoethyl)thiophene
The XLogP value of 1.6264 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Isocyanatoethyl)thiophene. With a topological polar surface area (TPSA) of 29.43 Ų, 2-(2-Isocyanatoethyl)thiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-Isocyanatoethyl)thiophene 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
Frequently Asked Questions
What is the CAS number of 2-(2-Isocyanatoethyl)thiophene?
The CAS number of 2-(2-Isocyanatoethyl)thiophene is 58749-51-2.
What is the molecular formula of 2-(2-Isocyanatoethyl)thiophene?
The molecular formula of 2-(2-Isocyanatoethyl)thiophene is C7H7NOS.
What is the molecular weight of 2-(2-Isocyanatoethyl)thiophene?
The molecular weight of 2-(2-Isocyanatoethyl)thiophene is 153.02 g/mol.
Where can I buy 2-(2-Isocyanatoethyl)thiophene?
You can request a quote for 2-(2-Isocyanatoethyl)thiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Isocyanatoethyl)thiophene?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Isocyanatoethyl)thiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.