| CAS Number | 2052159-02-9 |
| Catalog Number | AG01E6L5 |
| Chemical Name | 2-Cyanobutan-2-yl 4-chloro-3,5-dimethyl-1H-pyrazole-1-carbodithioate |
| IUPAC Name | 2-cyanobutan-2-yl 4-chloro-3,5-dimethylpyrazole-1-carbodithioate |
| InChI | InChI=1S/C11H14ClN3S2/c1-5-11(4,6-13)17-10(16)15-8(3)9(12)7(2)14-15/h5H2,1-4H3 |
| InChI Key | ZQXRXQYJDCRRGA-UHFFFAOYSA-N |
| MDL Number | MFCD29905440 |
| Molecular Formula | C11H14ClN3S2 |
| Molecular Weight | 287.8320 |
| SMILES | ClC=1C(=NN(C1C)C(=S)SC(C)(CC)C#N)C |
| Synonyms | SCHEMBL18304120,
MFCD29905440,
2-Cyanobutan-2-yl 4-chloro-3,5-dimethyl-1H-pyrazole-1-carbodithioate,
2-Cyanobutan-2-yl 4-chloro-3,5-dimethyl-1H-pyrazole-1-carbodithioate, 95%,
2052159-02-9,
|
| Complexity | 354 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 287.032g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 287.824g/mol |
| Monoisotopic Mass | 287.032g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 99A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number