2-(Acetylamino)-1,3-benzothiazol-6-yl thiocyanate
TL;DR: 2-(Acetylamino)-1,3-benzothiazol-6-yl thiocyanate (CAS 99073-47-9) is a chemical compound with molecular formula C10H7N3OS2 and molecular weight 249.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-acetamido-1,3-benzothiazol-6-yl) thiocyanate
Also Known As: BAS 00398745, 2-(acetylamino)-1,3-benzothiazol-6-yl thiocyanate, N-(6-Thiocyanato-benzothiazol-2-yl)-acetamide, (2-acetamido-1,3-benzothiazol-6-yl)thiocyanate, (2-acetamido-1,3-benzothiazol-6-yl) thiocyanate
| Molecular Formula | C10H7N3OS2 |
|---|---|
| Molecular Weight | 249.00 g/mol |
| LogP | 2.82788 |
| Topological Polar Surface Area | 65.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 249.00305 |
| Heavy Atoms | 16 |
| Complexity | 585.25195 |
Chemical Identifiers
| CAS Number | 99073-47-9 |
|---|---|
| SMILES | CC(=O)NC1=NC2=C(S1)C=C(C=C2)SC#N |
Product Overview
2-(Acetylamino)-1,3-benzothiazol-6-yl thiocyanate (CAS 99073-47-9), with molecular formula C10H7N3OS2 and molecular weight 249.00 g/mol. IUPAC: (2-acetamido-1,3-benzothiazol-6-yl) thiocyanate.
Chemical Property Profile of 2-(Acetylamino)-1,3-benzothiazol-6-yl thiocyanate
Property Insights of 2-(Acetylamino)-1,3-benzothiazol-6-yl thiocyanate
The XLogP value of 2.82788 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Acetylamino)-1,3-benzothiazol-6-yl thiocyanate. The TPSA of 65.78 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Acetylamino)-1,3-benzothiazol-6-yl thiocyanate. Following Lipinski's Rule of Five, 2-(Acetylamino)-1,3-benzothiazol-6-yl thiocyanate 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 2-(Acetylamino)-1,3-benzothiazol-6-yl thiocyanate?
The CAS number of 2-(Acetylamino)-1,3-benzothiazol-6-yl thiocyanate is 99073-47-9.
What is the molecular formula of 2-(Acetylamino)-1,3-benzothiazol-6-yl thiocyanate?
The molecular formula of 2-(Acetylamino)-1,3-benzothiazol-6-yl thiocyanate is C10H7N3OS2.
What is the molecular weight of 2-(Acetylamino)-1,3-benzothiazol-6-yl thiocyanate?
The molecular weight of 2-(Acetylamino)-1,3-benzothiazol-6-yl thiocyanate is 249.00 g/mol.
Where can I buy 2-(Acetylamino)-1,3-benzothiazol-6-yl thiocyanate?
You can request a quote for 2-(Acetylamino)-1,3-benzothiazol-6-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)-1,3-benzothiazol-6-yl thiocyanate?
Yes, KEHONG BIO provides custom synthesis services for 2-(Acetylamino)-1,3-benzothiazol-6-yl thiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.