(1,3-Dioxo-2-phenylinden-2-yl) thiocyanate
TL;DR: (1,3-Dioxo-2-phenylinden-2-yl) thiocyanate (CAS 3788-46-3) is a chemical compound with molecular formula C16H9NO2S and molecular weight 279.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,3-dioxo-2-phenylinden-2-yl) thiocyanate
Also Known As: 2-Phenyl-2-thiocyanatoindan-1,3-dione, (1,3-dioxo-2-phenylinden-2-yl) thiocyanate, 2-Thiocyanato-2-phenylindan-1,3-dione, 2-phenyl-2-thiocyanato-indene-1,3-dione, 2-phenyl-2-thiocyanato-1H-indene-1,3(2H)-dione
| Molecular Formula | C16H9NO2S |
|---|---|
| Molecular Weight | 279.04 g/mol |
| LogP | 3.17538 |
| Topological Polar Surface Area | 57.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 279.0354 |
| Heavy Atoms | 20 |
| Complexity | 711.5722 |
Chemical Identifiers
| CAS Number | 3788-46-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2(C(=O)C3=CC=CC=C3C2=O)SC#N |
Product Overview
(1,3-Dioxo-2-phenylinden-2-yl) thiocyanate (CAS 3788-46-3), with molecular formula C16H9NO2S and molecular weight 279.04 g/mol. IUPAC: (1,3-dioxo-2-phenylinden-2-yl) thiocyanate.
Chemical Property Profile of (1,3-Dioxo-2-phenylinden-2-yl) thiocyanate
Property Insights of (1,3-Dioxo-2-phenylinden-2-yl) thiocyanate
The XLogP value of 3.17538 indicates that (1,3-Dioxo-2-phenylinden-2-yl) thiocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.93 Ų, (1,3-Dioxo-2-phenylinden-2-yl) thiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1,3-Dioxo-2-phenylinden-2-yl) thiocyanate has 0 hydrogen bond donor(s) and 4 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 (1,3-Dioxo-2-phenylinden-2-yl) thiocyanate?
The CAS number of (1,3-Dioxo-2-phenylinden-2-yl) thiocyanate is 3788-46-3.
What is the molecular formula of (1,3-Dioxo-2-phenylinden-2-yl) thiocyanate?
The molecular formula of (1,3-Dioxo-2-phenylinden-2-yl) thiocyanate is C16H9NO2S.
What is the molecular weight of (1,3-Dioxo-2-phenylinden-2-yl) thiocyanate?
The molecular weight of (1,3-Dioxo-2-phenylinden-2-yl) thiocyanate is 279.04 g/mol.
Where can I buy (1,3-Dioxo-2-phenylinden-2-yl) thiocyanate?
You can request a quote for (1,3-Dioxo-2-phenylinden-2-yl) thiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1,3-Dioxo-2-phenylinden-2-yl) thiocyanate?
Yes, KEHONG BIO provides custom synthesis services for (1,3-Dioxo-2-phenylinden-2-yl) thiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.