(4-Oxo-4,5-dihydro-1,3-thiazol-2-yl)acetonitrile
TL;DR: (4-Oxo-4,5-dihydro-1,3-thiazol-2-yl)acetonitrile (CAS 74246-64-3) is a chemical compound with molecular formula C5H4N2OS and molecular weight 140.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-oxo-1,3-thiazol-2-yl)acetonitrile
Also Known As: 1,3-Thiazolin-4-one-2-acetonitrile, 2-cyanomethyl-4-thiazolinone, (4-oxo-4,5-dihydro-1,3-thiazol-2-yl)acetonitrile, 2-(4-oxo-1,3-thiazol-2-yl)acetonitrile, 2-(4-Oxo-4,5-dihydrothiazol-2-yl)acetonitrile
| Molecular Formula | C5H4N2OS |
|---|---|
| Molecular Weight | 140.00 g/mol |
| LogP | 0.57198 |
| Topological Polar Surface Area | 53.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 140.00444 |
| Heavy Atoms | 9 |
| Complexity | 203.49376 |
Chemical Identifiers
| CAS Number | 74246-64-3 |
|---|---|
| SMILES | C1C(=O)N=C(S1)CC#N |
Product Overview
(4-Oxo-4,5-dihydro-1,3-thiazol-2-yl)acetonitrile (CAS 74246-64-3), with molecular formula C5H4N2OS and molecular weight 140.00 g/mol. IUPAC: 2-(4-oxo-1,3-thiazol-2-yl)acetonitrile.
Chemical Property Profile of (4-Oxo-4,5-dihydro-1,3-thiazol-2-yl)acetonitrile
Property Insights of (4-Oxo-4,5-dihydro-1,3-thiazol-2-yl)acetonitrile
The XLogP value of 0.57198 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Oxo-4,5-dihydro-1,3-thiazol-2-yl)acetonitrile. With a topological polar surface area (TPSA) of 53.22 Ų, (4-Oxo-4,5-dihydro-1,3-thiazol-2-yl)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Oxo-4,5-dihydro-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-Oxo-4,5-dihydro-1,3-thiazol-2-yl)acetonitrile?
The CAS number of (4-Oxo-4,5-dihydro-1,3-thiazol-2-yl)acetonitrile is 74246-64-3.
What is the molecular formula of (4-Oxo-4,5-dihydro-1,3-thiazol-2-yl)acetonitrile?
The molecular formula of (4-Oxo-4,5-dihydro-1,3-thiazol-2-yl)acetonitrile is C5H4N2OS.
What is the molecular weight of (4-Oxo-4,5-dihydro-1,3-thiazol-2-yl)acetonitrile?
The molecular weight of (4-Oxo-4,5-dihydro-1,3-thiazol-2-yl)acetonitrile is 140.00 g/mol.
Where can I buy (4-Oxo-4,5-dihydro-1,3-thiazol-2-yl)acetonitrile?
You can request a quote for (4-Oxo-4,5-dihydro-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-Oxo-4,5-dihydro-1,3-thiazol-2-yl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for (4-Oxo-4,5-dihydro-1,3-thiazol-2-yl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.