(1,1-Dioxido-2,5-dihydrothiophen-3-yl)methyl thiocyanate
TL;DR: (1,1-Dioxido-2,5-dihydrothiophen-3-yl)methyl thiocyanate (CAS 36810-99-8) is a chemical compound with molecular formula C6H7NO2S2 and molecular weight 188.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,1-dioxo-2,5-dihydrothiophen-3-yl)methyl thiocyanate
Also Known As: (1,1-dioxo-2,5-dihydrothiophen-3-yl)methyl thiocyanate, 3-(thiocyanatomethyl)-2,5-dihydrothiophene 1,1-dioxide, (1,1-dioxido-2,5-dihydrothiophen-3-yl)methyl thiocyanate
| Molecular Formula | C6H7NO2S2 |
|---|---|
| Molecular Weight | 188.99 g/mol |
| LogP | 0.55548 |
| Topological Polar Surface Area | 57.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 188.99182 |
| Heavy Atoms | 11 |
| Complexity | 309.9642 |
Chemical Identifiers
| CAS Number | 36810-99-8 |
|---|---|
| SMILES | C1C=C(CS1(=O)=O)CSC#N |
Product Overview
(1,1-Dioxido-2,5-dihydrothiophen-3-yl)methyl thiocyanate (CAS 36810-99-8), with molecular formula C6H7NO2S2 and molecular weight 188.99 g/mol. IUPAC: (1,1-dioxo-2,5-dihydrothiophen-3-yl)methyl thiocyanate.
Chemical Property Profile of (1,1-Dioxido-2,5-dihydrothiophen-3-yl)methyl thiocyanate
Property Insights of (1,1-Dioxido-2,5-dihydrothiophen-3-yl)methyl thiocyanate
The XLogP value of 0.55548 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1,1-Dioxido-2,5-dihydrothiophen-3-yl)methyl thiocyanate. With a topological polar surface area (TPSA) of 57.93 Ų, (1,1-Dioxido-2,5-dihydrothiophen-3-yl)methyl thiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1,1-Dioxido-2,5-dihydrothiophen-3-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 (1,1-Dioxido-2,5-dihydrothiophen-3-yl)methyl thiocyanate?
The CAS number of (1,1-Dioxido-2,5-dihydrothiophen-3-yl)methyl thiocyanate is 36810-99-8.
What is the molecular formula of (1,1-Dioxido-2,5-dihydrothiophen-3-yl)methyl thiocyanate?
The molecular formula of (1,1-Dioxido-2,5-dihydrothiophen-3-yl)methyl thiocyanate is C6H7NO2S2.
What is the molecular weight of (1,1-Dioxido-2,5-dihydrothiophen-3-yl)methyl thiocyanate?
The molecular weight of (1,1-Dioxido-2,5-dihydrothiophen-3-yl)methyl thiocyanate is 188.99 g/mol.
Where can I buy (1,1-Dioxido-2,5-dihydrothiophen-3-yl)methyl thiocyanate?
You can request a quote for (1,1-Dioxido-2,5-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-2,5-dihydrothiophen-3-yl)methyl thiocyanate?
Yes, KEHONG BIO provides custom synthesis services for (1,1-Dioxido-2,5-dihydrothiophen-3-yl)methyl thiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.