(1,1-Dioxido-4-thiocyanato-4,5-dihydrothiophen-3-yl)methyl thiocyanate
TL;DR: (1,1-Dioxido-4-thiocyanato-4,5-dihydrothiophen-3-yl)methyl thiocyanate (CAS 443652-00-4) is a chemical compound with molecular formula C7H6N2O2S3 and molecular weight 245.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,1-dioxo-3-thiocyanato-2,3-dihydrothiophen-4-yl)methyl thiocyanate
Also Known As: (1,1-dioxido-4-thiocyanato-4,5-dihydrothiophen-3-yl)methyl thiocyanate, 3-thiocyanato-4-(thiocyanatomethyl)-2,3-dihydrothiophene 1,1-dioxide, (1,1-dioxo-3-thiocyanato-2,3-dihydrothiophen-4-yl)methyl thiocyanate, [4-(cyanothiomethyl)-1,1-dioxo(3-2,3-dihydrothienyl)]thiocarbonitrile
| Molecular Formula | C7H6N2O2S3 |
|---|---|
| Molecular Weight | 245.96 g/mol |
| LogP | 1.09586 |
| Topological Polar Surface Area | 81.72 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 245.95914 |
| Heavy Atoms | 14 |
| Complexity | 426.8317 |
Chemical Identifiers
| CAS Number | 443652-00-4 |
|---|---|
| SMILES | C1C(C(=CS1(=O)=O)CSC#N)SC#N |
Product Overview
(1,1-Dioxido-4-thiocyanato-4,5-dihydrothiophen-3-yl)methyl thiocyanate (CAS 443652-00-4), with molecular formula C7H6N2O2S3 and molecular weight 245.96 g/mol. IUPAC: (1,1-dioxo-3-thiocyanato-2,3-dihydrothiophen-4-yl)methyl thiocyanate.
Chemical Property Profile of (1,1-Dioxido-4-thiocyanato-4,5-dihydrothiophen-3-yl)methyl thiocyanate
Property Insights of (1,1-Dioxido-4-thiocyanato-4,5-dihydrothiophen-3-yl)methyl thiocyanate
The XLogP value of 1.09586 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1,1-Dioxido-4-thiocyanato-4,5-dihydrothiophen-3-yl)methyl thiocyanate. The TPSA of 81.72 Ų falls within the moderate polarity range, balancing permeability and solubility for (1,1-Dioxido-4-thiocyanato-4,5-dihydrothiophen-3-yl)methyl thiocyanate. Following Lipinski's Rule of Five, (1,1-Dioxido-4-thiocyanato-4,5-dihydrothiophen-3-yl)methyl thiocyanate has 0 hydrogen bond donor(s) and 6 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 (1,1-Dioxido-4-thiocyanato-4,5-dihydrothiophen-3-yl)methyl thiocyanate?
The CAS number of (1,1-Dioxido-4-thiocyanato-4,5-dihydrothiophen-3-yl)methyl thiocyanate is 443652-00-4.
What is the molecular formula of (1,1-Dioxido-4-thiocyanato-4,5-dihydrothiophen-3-yl)methyl thiocyanate?
The molecular formula of (1,1-Dioxido-4-thiocyanato-4,5-dihydrothiophen-3-yl)methyl thiocyanate is C7H6N2O2S3.
What is the molecular weight of (1,1-Dioxido-4-thiocyanato-4,5-dihydrothiophen-3-yl)methyl thiocyanate?
The molecular weight of (1,1-Dioxido-4-thiocyanato-4,5-dihydrothiophen-3-yl)methyl thiocyanate is 245.96 g/mol.
Where can I buy (1,1-Dioxido-4-thiocyanato-4,5-dihydrothiophen-3-yl)methyl thiocyanate?
You can request a quote for (1,1-Dioxido-4-thiocyanato-4,5-dihydrothiophen-3-yl)methyl thiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1,1-Dioxido-4-thiocyanato-4,5-dihydrothiophen-3-yl)methyl thiocyanate?
Yes, KEHONG BIO provides custom synthesis services for (1,1-Dioxido-4-thiocyanato-4,5-dihydrothiophen-3-yl)methyl thiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.