2-(1,3-Thiazol-2-yl)acetonitrile
TL;DR: 2-(1,3-Thiazol-2-yl)acetonitrile (CAS 101010-74-6) is a chemical compound with molecular formula C5H4N2S and molecular weight 124.00952 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(1,3-thiazol-2-yl)acetonitrile
Also Known As: 2-Thiazoleacetonitrile, THIAZOL-2-YL-ACETONITRILE, 2-(1,3-thiazol-2-yl)acetonitrile, 2-(THIAZOL-2-YL)ACETONITRILE, thiazolylacetonitrile
Technical Specifications
| Molecular Formula | C5H4N2S |
| Molecular Weight | 124.00952 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 64.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 124.00952 Da |
| Heavy Atoms | 8 |
| Complexity | 115.0 |
| SMILES | C1=CSC(=N1)CC#N |
| InChIKey | QLBGFCHJCWNVIN-UHFFFAOYSA-N |
Chemical Property Profile of 2-(1,3-Thiazol-2-yl)acetonitrile
Property Insights of 2-(1,3-Thiazol-2-yl)acetonitrile
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,3-Thiazol-2-yl)acetonitrile. The TPSA of 64.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-Thiazol-2-yl)acetonitrile. Following Lipinski's Rule of Five, 2-(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
What is the CAS number of 2-(1,3-Thiazol-2-yl)acetonitrile?
The CAS number of 2-(1,3-Thiazol-2-yl)acetonitrile is 101010-74-6.
What is the molecular formula of 2-(1,3-Thiazol-2-yl)acetonitrile?
The molecular formula of 2-(1,3-Thiazol-2-yl)acetonitrile is C5H4N2S.
What is the molecular weight of 2-(1,3-Thiazol-2-yl)acetonitrile?
The molecular weight of 2-(1,3-Thiazol-2-yl)acetonitrile is 124.00952 g/mol.
Where can I buy 2-(1,3-Thiazol-2-yl)acetonitrile?
You can request a quote for 2-(1,3-Thiazol-2-yl)acetonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(1,3-Thiazol-2-yl)acetonitrile?
Yes, CoreyChem provides custom synthesis services for 2-(1,3-Thiazol-2-yl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.