| CAS Number | 1215197-94-6 |
| Catalog Number | AG00HGA2 |
| Chemical Name | 4-(Isopropylthio)-1H-pyrazole |
| IUPAC Name | 4-propan-2-ylsulfanyl-1H-pyrazole |
| InChI | InChI=1S/C6H10N2S/c1-5(2)9-6-3-7-8-4-6/h3-5H,1-2H3,(H,7,8) |
| InChI Key | AOUDLJSGJVYGBF-UHFFFAOYSA-N |
| MDL Number | MFCD28134169 |
| Molecular Formula | C6H10N2S |
| Molecular Weight | 142.2220 |
| SMILES | CC(C)SC1=CNN=C1 |
| Synonyms | 4-(isopropylthio)-1H-pyrazole,
1215197-94-6,
SCHEMBL1712006,
AOUDLJSGJVYGBF-UHFFFAOYSA-N,
MFCD28134169,
ZINC116908457,
AS-43196,
|
| Complexity | 85.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 142.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 142.22g/mol |
| Monoisotopic Mass | 142.056g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 54A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number