Arsanil isothiocyanate
TL;DR: Arsanil isothiocyanate (CAS 6331-29-9) is a chemical compound with molecular formula C7H6AsNO3S and molecular weight 258.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-isothiocyanatophenyl)arsonic acid
Also Known As: Aabitc, Arsanil isothiocyanate, (4-isothiocyanatophenyl)arsonic acid, Arsonic acid benzene isothiocyanate, Arsonic acid, (4-isothiocyanatophenyl)-
| Molecular Formula | C7H6AsNO3S |
|---|---|
| Molecular Weight | 258.93 g/mol |
| LogP | -0.0181 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 258.92844 |
| Heavy Atoms | 13 |
| Complexity | 263.0 |
Chemical Identifiers
| CAS Number | 6331-29-9 |
|---|---|
| SMILES | C1=CC(=CC=C1N=C=S)[As](=O)(O)O |
| InChIKey | FJGCWJFFSBGALF-UHFFFAOYSA-N |
Product Overview
Arsanil isothiocyanate (CAS 6331-29-9), with molecular formula C7H6AsNO3S and molecular weight 258.93 g/mol. IUPAC: (4-isothiocyanatophenyl)arsonic acid.
Chemical Property Profile of Arsanil isothiocyanate
Property Insights of Arsanil isothiocyanate
The XLogP value of -0.0181 indicates that Arsanil isothiocyanate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Arsanil isothiocyanate. Following Lipinski's Rule of Five, Arsanil isothiocyanate has 2 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 Arsanil isothiocyanate?
The CAS number of Arsanil isothiocyanate is 6331-29-9.
What is the molecular formula of Arsanil isothiocyanate?
The molecular formula of Arsanil isothiocyanate is C7H6AsNO3S.
What is the molecular weight of Arsanil isothiocyanate?
The molecular weight of Arsanil isothiocyanate is 258.93 g/mol.
Where can I buy Arsanil isothiocyanate?
You can request a quote for Arsanil isothiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Arsanil isothiocyanate?
Yes, KEHONG BIO provides custom synthesis services for Arsanil isothiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.