2-Isocyanato-4-methylthiophene
TL;DR: 2-Isocyanato-4-methylthiophene (CAS 850375-10-9) is a chemical compound with molecular formula C6H5NOS and molecular weight 139.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-isocyanato-4-methylthiophene
Also Known As: 2-isocyanato-4-methylthiophene, 2-isocyanato-4-methyl-thiophene, 4-methyl 2-thienyl isocyanate, Thiophene,2-isocyanato-4-methyl-, 4-methyl-2-thienylisocyanate
| Molecular Formula | C6H5NOS |
|---|---|
| Molecular Weight | 139.01 g/mol |
| LogP | 2.02382 |
| Topological Polar Surface Area | 29.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 139.00919 |
| Heavy Atoms | 9 |
| Complexity | 247.31548 |
Chemical Identifiers
| CAS Number | 850375-10-9 |
|---|---|
| SMILES | CC1=CSC(=C1)N=C=O |
Product Overview
2-Isocyanato-4-methylthiophene (CAS 850375-10-9), with molecular formula C6H5NOS and molecular weight 139.01 g/mol. IUPAC: 2-isocyanato-4-methylthiophene.
Chemical Property Profile of 2-Isocyanato-4-methylthiophene
Property Insights of 2-Isocyanato-4-methylthiophene
The XLogP value of 2.02382 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Isocyanato-4-methylthiophene. With a topological polar surface area (TPSA) of 29.43 Ų, 2-Isocyanato-4-methylthiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Isocyanato-4-methylthiophene 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-Isocyanato-4-methylthiophene?
The CAS number of 2-Isocyanato-4-methylthiophene is 850375-10-9.
What is the molecular formula of 2-Isocyanato-4-methylthiophene?
The molecular formula of 2-Isocyanato-4-methylthiophene is C6H5NOS.
What is the molecular weight of 2-Isocyanato-4-methylthiophene?
The molecular weight of 2-Isocyanato-4-methylthiophene is 139.01 g/mol.
Where can I buy 2-Isocyanato-4-methylthiophene?
You can request a quote for 2-Isocyanato-4-methylthiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Isocyanato-4-methylthiophene?
Yes, KEHONG BIO provides custom synthesis services for 2-Isocyanato-4-methylthiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.