2-(Acetylamino)-4,5-dimethylthiophen-3-yl thiocyanate
TL;DR: 2-(Acetylamino)-4,5-dimethylthiophen-3-yl thiocyanate (CAS 54489-89-3) is a chemical compound with molecular formula C9H10N2OS2 and molecular weight 226.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-acetamido-4,5-dimethylthiophen-3-yl) thiocyanate
Also Known As: 2-(acetylamino)-4,5-dimethylthiophen-3-yl thiocyanate, AH-262/08421002, N-(3-cyanothio-4,5-dimethyl-2-thienyl)acetamide, 2-(acetylamino)-4,5-dimethylthien-3-yl thiocyanate, N-[3-(CYANOSULFANYL)-4,5-DIMETHYLTHIOPHEN-2-YL]ACETAMIDE
| Molecular Formula | C9H10N2OS2 |
|---|---|
| Molecular Weight | 226.02 g/mol |
| LogP | 2.89652 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 226.02345 |
| Heavy Atoms | 14 |
| Complexity | 403.67984 |
Chemical Identifiers
| CAS Number | 54489-89-3 |
|---|---|
| SMILES | CC1=C(SC(=C1SC#N)NC(=O)C)C |
Product Overview
2-(Acetylamino)-4,5-dimethylthiophen-3-yl thiocyanate (CAS 54489-89-3), with molecular formula C9H10N2OS2 and molecular weight 226.02 g/mol. IUPAC: (2-acetamido-4,5-dimethylthiophen-3-yl) thiocyanate.
Chemical Property Profile of 2-(Acetylamino)-4,5-dimethylthiophen-3-yl thiocyanate
Property Insights of 2-(Acetylamino)-4,5-dimethylthiophen-3-yl thiocyanate
The XLogP value of 2.89652 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Acetylamino)-4,5-dimethylthiophen-3-yl thiocyanate. With a topological polar surface area (TPSA) of 52.89 Ų, 2-(Acetylamino)-4,5-dimethylthiophen-3-yl thiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Acetylamino)-4,5-dimethylthiophen-3-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 2-(Acetylamino)-4,5-dimethylthiophen-3-yl thiocyanate?
The CAS number of 2-(Acetylamino)-4,5-dimethylthiophen-3-yl thiocyanate is 54489-89-3.
What is the molecular formula of 2-(Acetylamino)-4,5-dimethylthiophen-3-yl thiocyanate?
The molecular formula of 2-(Acetylamino)-4,5-dimethylthiophen-3-yl thiocyanate is C9H10N2OS2.
What is the molecular weight of 2-(Acetylamino)-4,5-dimethylthiophen-3-yl thiocyanate?
The molecular weight of 2-(Acetylamino)-4,5-dimethylthiophen-3-yl thiocyanate is 226.02 g/mol.
Where can I buy 2-(Acetylamino)-4,5-dimethylthiophen-3-yl thiocyanate?
You can request a quote for 2-(Acetylamino)-4,5-dimethylthiophen-3-yl thiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Acetylamino)-4,5-dimethylthiophen-3-yl thiocyanate?
Yes, KEHONG BIO provides custom synthesis services for 2-(Acetylamino)-4,5-dimethylthiophen-3-yl thiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.