![[3-Carbamoyl-4-(dimethylaminodiazenyl)phenyl] thiocyanate structure](/static/products/6701/67013-01-8.webp)
[3-Carbamoyl-4-(dimethylaminodiazenyl)phenyl] thiocyanate
TL;DR: [3-Carbamoyl-4-(dimethylaminodiazenyl)phenyl] thiocyanate (CAS 67013-01-8) is a chemical compound with molecular formula C10H11N5OS and molecular weight 249.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-carbamoyl-4-(dimethylaminodiazenyl)phenyl] thiocyanate
Also Known As: [3-carbamoyl-4-(dimethylaminodiazenyl)phenyl] thiocyanate|3-Carbamoyl-4-[(1E)-3,3-dimethyltriaz-1-en-1-yl]phenyl thiocyanate
| Molecular Formula | C10H11N5OS |
|---|---|
| Molecular Weight | 249.07 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 249.06844 |
| Heavy Atoms | 17 |
| Complexity | 348.0 |
Chemical Identifiers
| CAS Number | 67013-01-8 |
|---|---|
| SMILES | CN(C)N=NC1=C(C=C(C=C1)SC#N)C(=O)N |
| InChIKey | NHNOHMXASFHJKU-UHFFFAOYSA-N |
Product Overview
[3-Carbamoyl-4-(dimethylaminodiazenyl)phenyl] thiocyanate (CAS 67013-01-8), with molecular formula C10H11N5OS and molecular weight 249.07 g/mol. IUPAC: [3-carbamoyl-4-(dimethylaminodiazenyl)phenyl] thiocyanate.
Chemical Property Profile of [3-Carbamoyl-4-(dimethylaminodiazenyl)phenyl] thiocyanate
Property Insights of [3-Carbamoyl-4-(dimethylaminodiazenyl)phenyl] thiocyanate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [3-Carbamoyl-4-(dimethylaminodiazenyl)phenyl] thiocyanate. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [3-Carbamoyl-4-(dimethylaminodiazenyl)phenyl] thiocyanate. Following Lipinski's Rule of Five, [3-Carbamoyl-4-(dimethylaminodiazenyl)phenyl] thiocyanate has 1 hydrogen bond donor(s) and 6 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-Carbamoyl-4-(dimethylaminodiazenyl)phenyl] thiocyanate?
The CAS number of [3-Carbamoyl-4-(dimethylaminodiazenyl)phenyl] thiocyanate is 67013-01-8.
What is the molecular formula of [3-Carbamoyl-4-(dimethylaminodiazenyl)phenyl] thiocyanate?
The molecular formula of [3-Carbamoyl-4-(dimethylaminodiazenyl)phenyl] thiocyanate is C10H11N5OS.
What is the molecular weight of [3-Carbamoyl-4-(dimethylaminodiazenyl)phenyl] thiocyanate?
The molecular weight of [3-Carbamoyl-4-(dimethylaminodiazenyl)phenyl] thiocyanate is 249.07 g/mol.
Where can I buy [3-Carbamoyl-4-(dimethylaminodiazenyl)phenyl] thiocyanate?
You can request a quote for [3-Carbamoyl-4-(dimethylaminodiazenyl)phenyl] thiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [3-Carbamoyl-4-(dimethylaminodiazenyl)phenyl] thiocyanate?
Yes, KEHONG BIO provides custom synthesis services for [3-Carbamoyl-4-(dimethylaminodiazenyl)phenyl] thiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.