3-Isocyanatothiophene
TL;DR: 3-Isocyanatothiophene (CAS 76536-95-3) is a chemical compound with molecular formula C5H3NOS and molecular weight 124.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-isocyanatothiophene
Also Known As: 3-Thienyl Isocyanate, 3-isocyanatothiophene, 3-Thienylisocyanate, Thien-3-yl isocyanate, Thiophene,3-isocyanato-
| Molecular Formula | C5H3NOS |
|---|---|
| Molecular Weight | 124.99 g/mol |
| LogP | 1.7154 |
| Topological Polar Surface Area | 29.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 124.99354 |
| Heavy Atoms | 8 |
| Complexity | 198.21306 |
Chemical Identifiers
| CAS Number | 76536-95-3 |
|---|---|
| SMILES | C1=CSC=C1N=C=O |
Product Overview
3-Isocyanatothiophene (CAS 76536-95-3), with molecular formula C5H3NOS and molecular weight 124.99 g/mol. IUPAC: 3-isocyanatothiophene.
Chemical Property Profile of 3-Isocyanatothiophene
Property Insights of 3-Isocyanatothiophene
The XLogP value of 1.7154 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Isocyanatothiophene. With a topological polar surface area (TPSA) of 29.43 Ų, 3-Isocyanatothiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Isocyanatothiophene 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 3-Isocyanatothiophene?
The CAS number of 3-Isocyanatothiophene is 76536-95-3.
What is the molecular formula of 3-Isocyanatothiophene?
The molecular formula of 3-Isocyanatothiophene is C5H3NOS.
What is the molecular weight of 3-Isocyanatothiophene?
The molecular weight of 3-Isocyanatothiophene is 124.99 g/mol.
Where can I buy 3-Isocyanatothiophene?
You can request a quote for 3-Isocyanatothiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Isocyanatothiophene?
Yes, KEHONG BIO provides custom synthesis services for 3-Isocyanatothiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.