3-Oxo-3-(2-thiazolyl)propanenitrile - CAS 314268-27-4
Catalog: |
BB020915 |
Product Name: |
3-Oxo-3-(2-thiazolyl)propanenitrile |
CAS: |
314268-27-4 |
Synonyms: |
3-oxo-3-(2-thiazolyl)propanenitrile; 3-oxo-3-(1,3-thiazol-2-yl)propanenitrile |
IUPAC Name: | 3-oxo-3-(1,3-thiazol-2-yl)propanenitrile |
Description: | A thiazole derivative used in the preparation of enzyme modulators. |
Molecular Weight: | 152.17 |
Molecular Formula: | C6H4N2OS |
Canonical SMILES: | C1=CSC(=N1)C(=O)CC#N |
InChI: | InChI=1S/C6H4N2OS/c7-2-1-5(9)6-8-3-4-10-6/h3-4H,1H2 |
InChI Key: | MNZIAUBXQIDFJH-UHFFFAOYSA-N |
MDL: | MFCD09745918 |
LogP: | 1.23948 |
Publication Number | Title | Priority Date |
JP-2020026521-A | Coloring composition | 20180808 |
WO-2020031799-A1 | Coloring composition | 20180808 |
KR-20210042849-A | Coloring composition | 20180808 |
AU-2018209271-A1 | Adenosine A3 receptor modulators | 20170120 |
BR-112019012464-A2 | a3 adenosine receptor modulators | 20170120 |
Complexity: | 183 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 152.00443393 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 152.00443393 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 82 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Nitrogen Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS