(3-Bromo-1,1-dioxo-2,3-dihydrothiophen-4-yl)methyl thiocyanate
TL;DR: (3-Bromo-1,1-dioxo-2,3-dihydrothiophen-4-yl)methyl thiocyanate (CAS 443651-90-9) is a chemical compound with molecular formula C6H6BrNO2S2 and molecular weight 266.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-bromo-1,1-dioxo-2,3-dihydrothiophen-4-yl)methyl thiocyanate
Also Known As: (4-bromo-1,1-dioxido-4,5-dihydro-3-thienyl)methyl thiocyanate, (3-bromo-1,1-dioxo-2,3-dihydrothiophen-4-yl)methyl thiocyanate, 3-bromo-4-(thiocyanatomethyl)-2,3-dihydrothiophene 1,1-dioxide
| Molecular Formula | C6H6BrNO2S2 |
|---|---|
| Molecular Weight | 266.90 g/mol |
| LogP | 1.27648 |
| Topological Polar Surface Area | 57.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 266.90234 |
| Heavy Atoms | 12 |
| Complexity | 341.0498 |
Chemical Identifiers
| CAS Number | 443651-90-9 |
|---|---|
| SMILES | C1C(C(=CS1(=O)=O)CSC#N)Br |
Product Overview
(3-Bromo-1,1-dioxo-2,3-dihydrothiophen-4-yl)methyl thiocyanate (CAS 443651-90-9), with molecular formula C6H6BrNO2S2 and molecular weight 266.90 g/mol. IUPAC: (3-bromo-1,1-dioxo-2,3-dihydrothiophen-4-yl)methyl thiocyanate.
Chemical Property Profile of (3-Bromo-1,1-dioxo-2,3-dihydrothiophen-4-yl)methyl thiocyanate
Property Insights of (3-Bromo-1,1-dioxo-2,3-dihydrothiophen-4-yl)methyl thiocyanate
The XLogP value of 1.27648 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-Bromo-1,1-dioxo-2,3-dihydrothiophen-4-yl)methyl thiocyanate. With a topological polar surface area (TPSA) of 57.93 Ų, (3-Bromo-1,1-dioxo-2,3-dihydrothiophen-4-yl)methyl thiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-Bromo-1,1-dioxo-2,3-dihydrothiophen-4-yl)methyl 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 (3-Bromo-1,1-dioxo-2,3-dihydrothiophen-4-yl)methyl thiocyanate?
The CAS number of (3-Bromo-1,1-dioxo-2,3-dihydrothiophen-4-yl)methyl thiocyanate is 443651-90-9.
What is the molecular formula of (3-Bromo-1,1-dioxo-2,3-dihydrothiophen-4-yl)methyl thiocyanate?
The molecular formula of (3-Bromo-1,1-dioxo-2,3-dihydrothiophen-4-yl)methyl thiocyanate is C6H6BrNO2S2.
What is the molecular weight of (3-Bromo-1,1-dioxo-2,3-dihydrothiophen-4-yl)methyl thiocyanate?
The molecular weight of (3-Bromo-1,1-dioxo-2,3-dihydrothiophen-4-yl)methyl thiocyanate is 266.90 g/mol.
Where can I buy (3-Bromo-1,1-dioxo-2,3-dihydrothiophen-4-yl)methyl thiocyanate?
You can request a quote for (3-Bromo-1,1-dioxo-2,3-dihydrothiophen-4-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 (3-Bromo-1,1-dioxo-2,3-dihydrothiophen-4-yl)methyl thiocyanate?
Yes, KEHONG BIO provides custom synthesis services for (3-Bromo-1,1-dioxo-2,3-dihydrothiophen-4-yl)methyl thiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.