(4-Iodophenyl) thiocyanate
TL;DR: (4-Iodophenyl) thiocyanate (CAS 3321-93-5) is a chemical compound with molecular formula C7H4INS and molecular weight 260.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-iodophenyl) thiocyanate
Also Known As: (4-iodophenyl) thiocyanate, 4-Iodophenyl thiocyanate, 4-iodo-phenyl thiocyanate, Thiocyanic acid, p-iodophenyl ester, [(4-iodophenyl)sulfanyl]formonitrile
| Molecular Formula | C7H4INS |
|---|---|
| Molecular Weight | 260.91 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 49.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 260.91092 |
| Heavy Atoms | 10 |
| Complexity | 143.0 |
Chemical Identifiers
| CAS Number | 3321-93-5 |
|---|---|
| SMILES | C1=CC(=CC=C1SC#N)I |
| InChIKey | CJFJEVAGDXZIHQ-UHFFFAOYSA-N |
Product Overview
(4-Iodophenyl) thiocyanate (CAS 3321-93-5), with molecular formula C7H4INS and molecular weight 260.91 g/mol. IUPAC: (4-iodophenyl) thiocyanate.
Chemical Property Profile of (4-Iodophenyl) thiocyanate
Property Insights of (4-Iodophenyl) thiocyanate
The XLogP value of 3.1 indicates that (4-Iodophenyl) thiocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.1 Ų, (4-Iodophenyl) thiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Iodophenyl) thiocyanate has 0 hydrogen bond donor(s) and 2 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-Iodophenyl) thiocyanate?
The CAS number of (4-Iodophenyl) thiocyanate is 3321-93-5.
What is the molecular formula of (4-Iodophenyl) thiocyanate?
The molecular formula of (4-Iodophenyl) thiocyanate is C7H4INS.
What is the molecular weight of (4-Iodophenyl) thiocyanate?
The molecular weight of (4-Iodophenyl) thiocyanate is 260.91 g/mol.
Where can I buy (4-Iodophenyl) thiocyanate?
You can request a quote for (4-Iodophenyl) thiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Iodophenyl) thiocyanate?
Yes, KEHONG BIO provides custom synthesis services for (4-Iodophenyl) thiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.