| CAS Number | 1370046-40-4 |
| Catalog Number | AG01EOOH(AGN-PC-3H46GF) |
| Chemical Name | SSE15206 |
| IUPAC Name | 5-phenyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazole-2-carbothioamide |
| InChI | InChI=1S/C19H21N3O3S/c1-23-16-9-13(10-17(24-2)18(16)25-3)15-11-14(21-22(15)19(20)26)12-7-5-4-6-8-12/h4-10,15H,11H2,1-3H3,(H2,20,26) |
| InChI Key | GONIBFCARADPAC-UHFFFAOYSA-N |
| MDL Number | MFCD31746881 |
| Molecular Formula | C19H21N3O3S |
| Molecular Weight | 371.4533 |
| SMILES | COC1=C(OC)C(OC)=CC(C2CC(C3=CC=CC=C3)=NN2C(N)=S)=C1 |
| Synonyms | SSE15206,
1370046-40-4,
HY-111425,
CS-0040571,
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| Complexity | 510 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 371.13g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 371.455g/mol |
| Monoisotopic Mass | 371.13g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 101A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number