Thiocyanic acid, 2-thienyl ester
TL;DR: Thiocyanic acid, 2-thienyl ester (CAS 22552-32-5) is a chemical compound with molecular formula C5H3NS2 and molecular weight 140.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
thiophen-2-yl thiocyanate
Also Known As: 2-thienyl thiocyanate, thiocyanatothiophene, 2-thiocyanatothiophene, Thiocyanic acid, 2-thienyl ester, thiophen-2-yl thiocyanate
| Molecular Formula | C5H3NS2 |
|---|---|
| Molecular Weight | 140.97 g/mol |
| LogP | 2.32128 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 140.97069 |
| Heavy Atoms | 8 |
| Complexity | 184.69363 |
Chemical Identifiers
| CAS Number | 22552-32-5 |
|---|---|
| SMILES | C1=CSC(=C1)SC#N |
Product Overview
Thiocyanic acid, 2-thienyl ester (CAS 22552-32-5), with molecular formula C5H3NS2 and molecular weight 140.97 g/mol. IUPAC: thiophen-2-yl thiocyanate.
Chemical Property Profile of Thiocyanic acid, 2-thienyl ester
Property Insights of Thiocyanic acid, 2-thienyl ester
The XLogP value of 2.32128 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiocyanic acid, 2-thienyl ester. With a topological polar surface area (TPSA) of 23.79 Ų, Thiocyanic acid, 2-thienyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thiocyanic acid, 2-thienyl ester has 0 hydrogen bond donor(s) and 3 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 Thiocyanic acid, 2-thienyl ester?
The CAS number of Thiocyanic acid, 2-thienyl ester is 22552-32-5.
What is the molecular formula of Thiocyanic acid, 2-thienyl ester?
The molecular formula of Thiocyanic acid, 2-thienyl ester is C5H3NS2.
What is the molecular weight of Thiocyanic acid, 2-thienyl ester?
The molecular weight of Thiocyanic acid, 2-thienyl ester is 140.97 g/mol.
Where can I buy Thiocyanic acid, 2-thienyl ester?
You can request a quote for Thiocyanic acid, 2-thienyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiocyanic acid, 2-thienyl ester?
Yes, KEHONG BIO provides custom synthesis services for Thiocyanic acid, 2-thienyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.