5-Phenyl-2-thienylisocyanate
TL;DR: 5-Phenyl-2-thienylisocyanate (CAS 321309-34-6) is a chemical compound with molecular formula C11H7NOS and molecular weight 201.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-isocyanato-5-phenylthiophene
Also Known As: 5-Phenyl-2-thienylisocyanate, 2-isocyanato-5-phenylthiophene, 5-Phenyl-2-thienyl isocyanate, 3-Methoxyphenylacetone, Thiophene,2-isocyanato-5-phenyl-
| Molecular Formula | C11H7NOS |
|---|---|
| Molecular Weight | 201.02 g/mol |
| LogP | 3.3824 |
| Topological Polar Surface Area | 29.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 201.02484 |
| Heavy Atoms | 14 |
| Complexity | 469.04257 |
Chemical Identifiers
| CAS Number | 321309-34-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC=C(S2)N=C=O |
Product Overview
5-Phenyl-2-thienylisocyanate (CAS 321309-34-6), with molecular formula C11H7NOS and molecular weight 201.02 g/mol. IUPAC: 2-isocyanato-5-phenylthiophene.
Chemical Property Profile of 5-Phenyl-2-thienylisocyanate
Property Insights of 5-Phenyl-2-thienylisocyanate
The XLogP value of 3.3824 indicates that 5-Phenyl-2-thienylisocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.43 Ų, 5-Phenyl-2-thienylisocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Phenyl-2-thienylisocyanate 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 5-Phenyl-2-thienylisocyanate?
The CAS number of 5-Phenyl-2-thienylisocyanate is 321309-34-6.
What is the molecular formula of 5-Phenyl-2-thienylisocyanate?
The molecular formula of 5-Phenyl-2-thienylisocyanate is C11H7NOS.
What is the molecular weight of 5-Phenyl-2-thienylisocyanate?
The molecular weight of 5-Phenyl-2-thienylisocyanate is 201.02 g/mol.
Where can I buy 5-Phenyl-2-thienylisocyanate?
You can request a quote for 5-Phenyl-2-thienylisocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Phenyl-2-thienylisocyanate?
Yes, KEHONG BIO provides custom synthesis services for 5-Phenyl-2-thienylisocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.