2-(Isothiocyanatomethyl)furan
TL;DR: 2-(Isothiocyanatomethyl)furan (CAS 4650-60-6) 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-(isothiocyanatomethyl)furan
Also Known As: 2-Furfuryl isothiocyanate, 2-(Isothiocyanatomethyl)furan, Furfuryl isothiocyanate, furfurylisothiocyanate, 2-furylmethyl isothiocyanate
| Molecular Formula | C6H5NOS |
|---|---|
| Molecular Weight | 139.01 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 57.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 139.00919 |
| Heavy Atoms | 9 |
| Complexity | 131.0 |
Chemical Identifiers
| CAS Number | 4650-60-6 |
|---|---|
| SMILES | C1=COC(=C1)CN=C=S |
| InChIKey | ICXYINJACKJQQV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Isothiocyanatomethyl)furan (CAS 4650-60-6), with molecular formula C6H5NOS and molecular weight 139.01 g/mol. IUPAC: 2-(isothiocyanatomethyl)furan.
Chemical Property Profile of 2-(Isothiocyanatomethyl)furan
Property Insights of 2-(Isothiocyanatomethyl)furan
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Isothiocyanatomethyl)furan. With a topological polar surface area (TPSA) of 57.6 Ų, 2-(Isothiocyanatomethyl)furan exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Isothiocyanatomethyl)furan 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-(Isothiocyanatomethyl)furan?
The CAS number of 2-(Isothiocyanatomethyl)furan is 4650-60-6.
What is the molecular formula of 2-(Isothiocyanatomethyl)furan?
The molecular formula of 2-(Isothiocyanatomethyl)furan is C6H5NOS.
What is the molecular weight of 2-(Isothiocyanatomethyl)furan?
The molecular weight of 2-(Isothiocyanatomethyl)furan is 139.01 g/mol.
Where can I buy 2-(Isothiocyanatomethyl)furan?
You can request a quote for 2-(Isothiocyanatomethyl)furan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Isothiocyanatomethyl)furan?
Yes, KEHONG BIO provides custom synthesis services for 2-(Isothiocyanatomethyl)furan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.