3-Thiocyanato-4-hydroxysulfolane
TL;DR: 3-Thiocyanato-4-hydroxysulfolane (CAS 57629-75-1) is a chemical compound with molecular formula C5H7NO3S2 and molecular weight 192.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-hydroxy-1,1-dioxothiolan-3-yl) thiocyanate
Also Known As: 3-thiocyanato-4-hydroxysulfolane, 1,1-dioxo-4-thiocyanato-thiolan-3-ol, (4-hydroxy-1,1-dioxothiolan-3-yl) thiocyanate, 4-hydroxy-1,1-dioxidotetrahydro-3-thienyl thiocyanate
| Molecular Formula | C5H7NO3S2 |
|---|---|
| Molecular Weight | 192.99 g/mol |
| LogP | -0.64142 |
| Topological Polar Surface Area | 78.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 192.98674 |
| Heavy Atoms | 11 |
| Complexity | 278.5929 |
Chemical Identifiers
| CAS Number | 57629-75-1 |
|---|---|
| SMILES | C1C(C(CS1(=O)=O)SC#N)O |
Product Overview
3-Thiocyanato-4-hydroxysulfolane (CAS 57629-75-1), with molecular formula C5H7NO3S2 and molecular weight 192.99 g/mol. IUPAC: (4-hydroxy-1,1-dioxothiolan-3-yl) thiocyanate.
Chemical Property Profile of 3-Thiocyanato-4-hydroxysulfolane
Property Insights of 3-Thiocyanato-4-hydroxysulfolane
The XLogP value of -0.64142 indicates that 3-Thiocyanato-4-hydroxysulfolane is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 78.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Thiocyanato-4-hydroxysulfolane. Following Lipinski's Rule of Five, 3-Thiocyanato-4-hydroxysulfolane has 1 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 3-Thiocyanato-4-hydroxysulfolane?
The CAS number of 3-Thiocyanato-4-hydroxysulfolane is 57629-75-1.
What is the molecular formula of 3-Thiocyanato-4-hydroxysulfolane?
The molecular formula of 3-Thiocyanato-4-hydroxysulfolane is C5H7NO3S2.
What is the molecular weight of 3-Thiocyanato-4-hydroxysulfolane?
The molecular weight of 3-Thiocyanato-4-hydroxysulfolane is 192.99 g/mol.
Where can I buy 3-Thiocyanato-4-hydroxysulfolane?
You can request a quote for 3-Thiocyanato-4-hydroxysulfolane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Thiocyanato-4-hydroxysulfolane?
Yes, KEHONG BIO provides custom synthesis services for 3-Thiocyanato-4-hydroxysulfolane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.