Diiodosulfophenylisothiocyanate
TL;DR: Diiodosulfophenylisothiocyanate (CAS 80434-80-6) is a chemical compound with molecular formula C7H3I2NO3S2 and molecular weight 466.76 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-diiodo-4-isothiocyanatobenzenesulfonic acid
Also Known As: Diiodosulfophenylisothiocyanate, Benzenesulfonic acid, 3,5-diiodo-4-isothiocyanato-, 3,5-diiodo-4-isothiocyanatobenzenesulfonic acid, 3,5-Diiodo-4-isothiocyanatobenzene-1-sulfonic acid, RefChem:134021
| Molecular Formula | C7H3I2NO3S2 |
|---|---|
| Molecular Weight | 466.76 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 466.76437 |
| Heavy Atoms | 15 |
| Complexity | 362.0 |
Chemical Identifiers
| CAS Number | 80434-80-6 |
|---|---|
| SMILES | C1=C(C=C(C(=C1I)N=C=S)I)S(=O)(=O)O |
| InChIKey | RSXGAMFXNWDRER-UHFFFAOYSA-N |
Product Overview
Diiodosulfophenylisothiocyanate (CAS 80434-80-6), with molecular formula C7H3I2NO3S2 and molecular weight 466.76 g/mol. IUPAC: 3,5-diiodo-4-isothiocyanatobenzenesulfonic acid.
Chemical Property Profile of Diiodosulfophenylisothiocyanate
Property Insights of Diiodosulfophenylisothiocyanate
The XLogP value of 3.4 indicates that Diiodosulfophenylisothiocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Diiodosulfophenylisothiocyanate. Following Lipinski's Rule of Five, Diiodosulfophenylisothiocyanate has 1 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 Diiodosulfophenylisothiocyanate?
The CAS number of Diiodosulfophenylisothiocyanate is 80434-80-6.
What is the molecular formula of Diiodosulfophenylisothiocyanate?
The molecular formula of Diiodosulfophenylisothiocyanate is C7H3I2NO3S2.
What is the molecular weight of Diiodosulfophenylisothiocyanate?
The molecular weight of Diiodosulfophenylisothiocyanate is 466.76 g/mol.
Where can I buy Diiodosulfophenylisothiocyanate?
You can request a quote for Diiodosulfophenylisothiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diiodosulfophenylisothiocyanate?
Yes, KEHONG BIO provides custom synthesis services for Diiodosulfophenylisothiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.