(5-Tert-butylsulfanylthiophen-2-yl) thiocyanate
TL;DR: (5-Tert-butylsulfanylthiophen-2-yl) thiocyanate (CAS 16470-81-8) is a chemical compound with molecular formula C9H11NS3 and molecular weight 229.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-tert-butylsulfanylthiophen-2-yl) thiocyanate
Also Known As: BAS 00529310, (5-tert-butylsulfanylthiophen-2-yl) thiocyanate, 2-(t-butylthio)-5-thio-cyanatothiophene, 2-(tert-butylthio)-5-thiocyanatothiophene, Thiophene, 2-tert-butylthio-5-thiocyanato-
| Molecular Formula | C9H11NS3 |
|---|---|
| Molecular Weight | 229.01 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 229.00536 |
| Heavy Atoms | 13 |
| Complexity | 213.0 |
Chemical Identifiers
| CAS Number | 16470-81-8 |
|---|---|
| SMILES | CC(C)(C)SC1=CC=C(S1)SC#N |
| InChIKey | MZDSEGDEENJFIK-UHFFFAOYSA-N |
Product Overview
(5-Tert-butylsulfanylthiophen-2-yl) thiocyanate (CAS 16470-81-8), with molecular formula C9H11NS3 and molecular weight 229.01 g/mol. IUPAC: (5-tert-butylsulfanylthiophen-2-yl) thiocyanate.
Chemical Property Profile of (5-Tert-butylsulfanylthiophen-2-yl) thiocyanate
Property Insights of (5-Tert-butylsulfanylthiophen-2-yl) thiocyanate
The XLogP value of 4.3 indicates that (5-Tert-butylsulfanylthiophen-2-yl) thiocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (5-Tert-butylsulfanylthiophen-2-yl) thiocyanate. Following Lipinski's Rule of Five, (5-Tert-butylsulfanylthiophen-2-yl) 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 (5-Tert-butylsulfanylthiophen-2-yl) thiocyanate?
The CAS number of (5-Tert-butylsulfanylthiophen-2-yl) thiocyanate is 16470-81-8.
What is the molecular formula of (5-Tert-butylsulfanylthiophen-2-yl) thiocyanate?
The molecular formula of (5-Tert-butylsulfanylthiophen-2-yl) thiocyanate is C9H11NS3.
What is the molecular weight of (5-Tert-butylsulfanylthiophen-2-yl) thiocyanate?
The molecular weight of (5-Tert-butylsulfanylthiophen-2-yl) thiocyanate is 229.01 g/mol.
Where can I buy (5-Tert-butylsulfanylthiophen-2-yl) thiocyanate?
You can request a quote for (5-Tert-butylsulfanylthiophen-2-yl) thiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5-Tert-butylsulfanylthiophen-2-yl) thiocyanate?
Yes, KEHONG BIO provides custom synthesis services for (5-Tert-butylsulfanylthiophen-2-yl) thiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.