| CAS Number | 502133-11-1 |
| Catalog Number | AG01A8BZ(AGN-PC-0WO3JI) |
| Chemical Name | 3-(5-methylthiophen-2-yl)-1H-pyrazol-5-amine |
| IUPAC Name | 5-(5-methylthiophen-2-yl)-1H-pyrazol-3-amine |
| InChI | InChI=1S/C8H9N3S/c1-5-2-3-7(12-5)6-4-8(9)11-10-6/h2-4H,1H3,(H3,9,10,11) |
| InChI Key | GHXRJOLJBGMFRN-UHFFFAOYSA-N |
| MDL Number | MFCD02664297 |
| Molecular Formula | C8H9N3S |
| Molecular Weight | 179.2422 |
| SMILES | CC1SC(C2=NNC(N)=C2)=CC=1 |
| Synonyms | 3-(5-methylthiophen-2-yl)-1H-pyrazol-5-amine,
502133-11-1,
AC1MYU3E,
AC1Q2N0D,
5-(5-methylthiophen-2-yl)-1H-pyrazol-3-amine,
CTK6C0071,
ZINC5594323,
AKOS000183012,
MCULE-1803741763,
NE34331,
BB 0249396,
EN300-61265,
5-(5-Methyl-thiophen-2-yl)-2H-pyrazol-3-ylami ne,
CID3837601,
|
| Complexity | 164 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.052g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.241g/mol |
| Monoisotopic Mass | 179.052g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 82.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number