4-Isothiocyanatophenyl ether
TL;DR: 4-Isothiocyanatophenyl ether (CAS 10396-05-1) is a chemical compound with molecular formula C14H8N2OS2 and molecular weight 284.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-isothiocyanato-4-(4-isothiocyanatophenoxy)benzene
Also Known As: 4-Isothiocyanatophenyl ether, 1-isothiocyanato-4-(4-isothiocyanatophenoxy)benzene, 4,4'-oxybis(isothiocyanatobenzene), 4-Isothiocyanatophenyl, yenther
| Molecular Formula | C14H8N2OS2 |
|---|---|
| Molecular Weight | 284.01 g/mol |
| LogP | 4.9475 |
| Topological Polar Surface Area | 33.95 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 284.0078 |
| Heavy Atoms | 19 |
| Complexity | 593.3502 |
Chemical Identifiers
| CAS Number | 10396-05-1 |
|---|---|
| SMILES | C1=CC(=CC=C1N=C=S)OC2=CC=C(C=C2)N=C=S |
Product Overview
4-Isothiocyanatophenyl ether (CAS 10396-05-1), with molecular formula C14H8N2OS2 and molecular weight 284.01 g/mol. IUPAC: 1-isothiocyanato-4-(4-isothiocyanatophenoxy)benzene.
Chemical Property Profile of 4-Isothiocyanatophenyl ether
Property Insights of 4-Isothiocyanatophenyl ether
The XLogP value of 4.9475 indicates that 4-Isothiocyanatophenyl ether is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.95 Ų, 4-Isothiocyanatophenyl ether exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Isothiocyanatophenyl ether has 0 hydrogen bond donor(s) and 5 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 4-Isothiocyanatophenyl ether?
The CAS number of 4-Isothiocyanatophenyl ether is 10396-05-1.
What is the molecular formula of 4-Isothiocyanatophenyl ether?
The molecular formula of 4-Isothiocyanatophenyl ether is C14H8N2OS2.
What is the molecular weight of 4-Isothiocyanatophenyl ether?
The molecular weight of 4-Isothiocyanatophenyl ether is 284.01 g/mol.
Where can I buy 4-Isothiocyanatophenyl ether?
You can request a quote for 4-Isothiocyanatophenyl ether directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Isothiocyanatophenyl ether?
Yes, KEHONG BIO provides custom synthesis services for 4-Isothiocyanatophenyl ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.