| CAS Number | 1883264-36-5 |
| Catalog Number | AG01E6L2 |
| Chemical Name | 2-cyanobutanyl-2-yl 3,5-dimethyl-1H-pyrazole-1-carbodithioate |
| IUPAC Name | 2-cyanobutan-2-yl 3,5-dimethylpyrazole-1-carbodithioate |
| InChI | InChI=1S/C11H15N3S2/c1-5-11(4,7-12)16-10(15)14-9(3)6-8(2)13-14/h6H,5H2,1-4H3 |
| InChI Key | YLQFEMAFHJDHDH-UHFFFAOYSA-N |
| MDL Number | MFCD29924466 |
| Molecular Formula | C11H15N3S2 |
| Molecular Weight | 253.3869 |
| SMILES | CCC(SC(=S)n1nc(cc1C)C)(C#N)C |
| Synonyms | SCHEMBL18304158,
MFCD29924466,
J3.507.954H,
2-Cyanobutanyl-2-yl 3,5-dimethyl-1H-pyrazole-1-carbodithioate,
2-Cyanobutanyl-2-yl 3,5-dimethyl-1H-pyrazole-1-carbodithioate, 95%,
2-Methyl-2-((3,5-dimethyl-1H-pyrazole-1-yl)(thiocarbonyl)thio)butyronitrile,
1883264-36-5,
|
| Complexity | 322 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.382g/mol |
| Monoisotopic Mass | 253.071g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 99A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number