| CAS Number | 50915-54-3 |
| Catalog Number | AG019JHT |
| Chemical Name | 2-(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)acetonitrile |
| IUPAC Name | 2-(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)acetonitrile |
| InChI | InChI=1S/C6H6N2OS/c1-8-5(9)4-10-6(8)2-3-7/h2H,4H2,1H3 |
| InChI Key | BPCJPESPKLCZSN-UHFFFAOYSA-N |
| MDL Number | MFCD06655035 |
| Molecular Formula | C6H6N2OS |
| Molecular Weight | 154.1896 |
| SMILES | CN1C(=CC#N)SCC1=O |
| Synonyms | 2-(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)acetonitrile,
AC1LC1ZW,
56196-65-7,
CTK5A4772,
AKOS034469244,
MCULE-3345462720,
Z56979259,
50915-54-3,
CID592954,
ZINC02641060,
(2Z)-(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)acetonitrile,
|
| Complexity | 237 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 154.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 154.187g/mol |
| Monoisotopic Mass | 154.02g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 69.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number