2-Amino-4-(tert-butyl)-1,3-thiazol-5-yl thiocyanate
TL;DR: 2-Amino-4-(tert-butyl)-1,3-thiazol-5-yl thiocyanate (CAS 339016-14-7) is a chemical compound with molecular formula C8H11N3S2 and molecular weight 213.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-amino-4-tert-butyl-1,3-thiazol-5-yl) thiocyanate
Also Known As: 2-amino-4-(tert-butyl)-1,3-thiazol-5-yl thiocyanate, [(2-amino-4-tert-butyl-1,3-thiazol-5-yl)sulfanyl]formonitrile, (2-amino-4-tert-butyl-1,3-thiazol-5-yl) thiocyanate, 7L-828, (2-amino-4-tert-butyl-thiazol-5-yl) thiocyanate
| Molecular Formula | C8H11N3S2 |
|---|---|
| Molecular Weight | 213.04 g/mol |
| LogP | 2.59598 |
| Topological Polar Surface Area | 62.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 213.03944 |
| Heavy Atoms | 13 |
| Complexity | 343.25162 |
Chemical Identifiers
| CAS Number | 339016-14-7 |
|---|---|
| SMILES | CC(C)(C)C1=C(SC(=N1)N)SC#N |
Product Overview
2-Amino-4-(tert-butyl)-1,3-thiazol-5-yl thiocyanate (CAS 339016-14-7), with molecular formula C8H11N3S2 and molecular weight 213.04 g/mol. IUPAC: (2-amino-4-tert-butyl-1,3-thiazol-5-yl) thiocyanate.
Chemical Property Profile of 2-Amino-4-(tert-butyl)-1,3-thiazol-5-yl thiocyanate
Property Insights of 2-Amino-4-(tert-butyl)-1,3-thiazol-5-yl thiocyanate
The XLogP value of 2.59598 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Amino-4-(tert-butyl)-1,3-thiazol-5-yl thiocyanate. The TPSA of 62.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-4-(tert-butyl)-1,3-thiazol-5-yl thiocyanate. Following Lipinski's Rule of Five, 2-Amino-4-(tert-butyl)-1,3-thiazol-5-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-Amino-4-(tert-butyl)-1,3-thiazol-5-yl thiocyanate?
The CAS number of 2-Amino-4-(tert-butyl)-1,3-thiazol-5-yl thiocyanate is 339016-14-7.
What is the molecular formula of 2-Amino-4-(tert-butyl)-1,3-thiazol-5-yl thiocyanate?
The molecular formula of 2-Amino-4-(tert-butyl)-1,3-thiazol-5-yl thiocyanate is C8H11N3S2.
What is the molecular weight of 2-Amino-4-(tert-butyl)-1,3-thiazol-5-yl thiocyanate?
The molecular weight of 2-Amino-4-(tert-butyl)-1,3-thiazol-5-yl thiocyanate is 213.04 g/mol.
Where can I buy 2-Amino-4-(tert-butyl)-1,3-thiazol-5-yl thiocyanate?
You can request a quote for 2-Amino-4-(tert-butyl)-1,3-thiazol-5-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-Amino-4-(tert-butyl)-1,3-thiazol-5-yl thiocyanate?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-4-(tert-butyl)-1,3-thiazol-5-yl thiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.