(4-tert-Butyl-1,3-thiazol-2-yl)acetonitrile
TL;DR: (4-tert-Butyl-1,3-thiazol-2-yl)acetonitrile (CAS 79455-62-2) is a chemical compound with molecular formula C9H12N2S and molecular weight 180.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-tert-butyl-1,3-thiazol-2-yl)acetonitrile
Also Known As: Sepimostat, 2-[4-(tert-butyl)-1,3-thiazol-2-yl]acetonitrile, 2-(4-tert-butyl-1,3-thiazol-2-yl)acetonitrile, 4-tert-Butylthiazole-2-acetonitrile, 2-Thiazoleacetonitrile,4-(1,1-dimethylethyl)-
| Molecular Formula | C9H12N2S |
|---|---|
| Molecular Weight | 180.07 g/mol |
| LogP | 2.50668 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 180.07211 |
| Heavy Atoms | 12 |
| Complexity | 301.0638 |
Chemical Identifiers
| CAS Number | 79455-62-2 |
|---|---|
| SMILES | CC(C)(C)C1=CSC(=N1)CC#N |
Product Overview
(4-tert-Butyl-1,3-thiazol-2-yl)acetonitrile (CAS 79455-62-2), with molecular formula C9H12N2S and molecular weight 180.07 g/mol. IUPAC: 2-(4-tert-butyl-1,3-thiazol-2-yl)acetonitrile.
Chemical Property Profile of (4-tert-Butyl-1,3-thiazol-2-yl)acetonitrile
Property Insights of (4-tert-Butyl-1,3-thiazol-2-yl)acetonitrile
The XLogP value of 2.50668 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-tert-Butyl-1,3-thiazol-2-yl)acetonitrile. With a topological polar surface area (TPSA) of 36.68 Ų, (4-tert-Butyl-1,3-thiazol-2-yl)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-tert-Butyl-1,3-thiazol-2-yl)acetonitrile has 0 hydrogen bond donor(s) and 3 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 (4-tert-Butyl-1,3-thiazol-2-yl)acetonitrile?
The CAS number of (4-tert-Butyl-1,3-thiazol-2-yl)acetonitrile is 79455-62-2.
What is the molecular formula of (4-tert-Butyl-1,3-thiazol-2-yl)acetonitrile?
The molecular formula of (4-tert-Butyl-1,3-thiazol-2-yl)acetonitrile is C9H12N2S.
What is the molecular weight of (4-tert-Butyl-1,3-thiazol-2-yl)acetonitrile?
The molecular weight of (4-tert-Butyl-1,3-thiazol-2-yl)acetonitrile is 180.07 g/mol.
Where can I buy (4-tert-Butyl-1,3-thiazol-2-yl)acetonitrile?
You can request a quote for (4-tert-Butyl-1,3-thiazol-2-yl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-tert-Butyl-1,3-thiazol-2-yl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for (4-tert-Butyl-1,3-thiazol-2-yl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.