3-Iodophenylisothiocyanate
TL;DR: 3-Iodophenylisothiocyanate (CAS 3125-73-3) 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.
1-iodo-3-isothiocyanatobenzene
Also Known As: 3-Iodophenyl isothiocyanate, 3-Iodophenylisothiocyanate, 1-Iodo-3-isothiocyanatobenzene, 4-Propylheptane, m-Iodophenylisothiocyanate
| Molecular Formula | C7H4INS |
|---|---|
| Molecular Weight | 260.91 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 44.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 260.91092 |
| Heavy Atoms | 10 |
| Complexity | 154.0 |
Chemical Identifiers
| CAS Number | 3125-73-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)I)N=C=S |
| InChIKey | LKCSXVAACHUTGC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Iodophenylisothiocyanate (CAS 3125-73-3), with molecular formula C7H4INS and molecular weight 260.91 g/mol. IUPAC: 1-iodo-3-isothiocyanatobenzene.
Chemical Property Profile of 3-Iodophenylisothiocyanate
Property Insights of 3-Iodophenylisothiocyanate
The XLogP value of 4.7 indicates that 3-Iodophenylisothiocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.5 Ų, 3-Iodophenylisothiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Iodophenylisothiocyanate 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 3-Iodophenylisothiocyanate?
The CAS number of 3-Iodophenylisothiocyanate is 3125-73-3.
What is the molecular formula of 3-Iodophenylisothiocyanate?
The molecular formula of 3-Iodophenylisothiocyanate is C7H4INS.
What is the molecular weight of 3-Iodophenylisothiocyanate?
The molecular weight of 3-Iodophenylisothiocyanate is 260.91 g/mol.
Where can I buy 3-Iodophenylisothiocyanate?
You can request a quote for 3-Iodophenylisothiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Iodophenylisothiocyanate?
Yes, KEHONG BIO provides custom synthesis services for 3-Iodophenylisothiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.