3-(Acetylamino)-5-phenylthiophen-2-yl thiocyanate
TL;DR: 3-(Acetylamino)-5-phenylthiophen-2-yl thiocyanate (CAS 330568-98-4) is a chemical compound with molecular formula C13H10N2OS2 and molecular weight 274.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-acetamido-5-phenylthiophen-2-yl) thiocyanate
Also Known As: (3-acetamido-5-phenylthiophen-2-yl) thiocyanate, 3-(acetylamino)-5-phenyl-2-thienyl thiocyanate, 3-(acetylamino)-5-phenylthiophen-2-yl thiocyanate, AH-262/33341057, N-(5-phenyl-2-thiocyanatothiophen-3-yl)acetamide
| Molecular Formula | C13H10N2OS2 |
|---|---|
| Molecular Weight | 274.02 g/mol |
| LogP | 3.94668 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 274.02347 |
| Heavy Atoms | 18 |
| Complexity | 599.199 |
Chemical Identifiers
| CAS Number | 330568-98-4 |
|---|---|
| SMILES | CC(=O)NC1=C(SC(=C1)C2=CC=CC=C2)SC#N |
Product Overview
3-(Acetylamino)-5-phenylthiophen-2-yl thiocyanate (CAS 330568-98-4), with molecular formula C13H10N2OS2 and molecular weight 274.02 g/mol. IUPAC: (3-acetamido-5-phenylthiophen-2-yl) thiocyanate.
Chemical Property Profile of 3-(Acetylamino)-5-phenylthiophen-2-yl thiocyanate
Property Insights of 3-(Acetylamino)-5-phenylthiophen-2-yl thiocyanate
The XLogP value of 3.94668 indicates that 3-(Acetylamino)-5-phenylthiophen-2-yl thiocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.89 Ų, 3-(Acetylamino)-5-phenylthiophen-2-yl thiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Acetylamino)-5-phenylthiophen-2-yl thiocyanate has 1 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-(Acetylamino)-5-phenylthiophen-2-yl thiocyanate?
The CAS number of 3-(Acetylamino)-5-phenylthiophen-2-yl thiocyanate is 330568-98-4.
What is the molecular formula of 3-(Acetylamino)-5-phenylthiophen-2-yl thiocyanate?
The molecular formula of 3-(Acetylamino)-5-phenylthiophen-2-yl thiocyanate is C13H10N2OS2.
What is the molecular weight of 3-(Acetylamino)-5-phenylthiophen-2-yl thiocyanate?
The molecular weight of 3-(Acetylamino)-5-phenylthiophen-2-yl thiocyanate is 274.02 g/mol.
Where can I buy 3-(Acetylamino)-5-phenylthiophen-2-yl thiocyanate?
You can request a quote for 3-(Acetylamino)-5-phenylthiophen-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 3-(Acetylamino)-5-phenylthiophen-2-yl thiocyanate?
Yes, KEHONG BIO provides custom synthesis services for 3-(Acetylamino)-5-phenylthiophen-2-yl thiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.