| CAS Number | 142274-34-8 |
| Catalog Number | AG00AHQK(AGN-PC-020JNY) |
| Chemical Name | 3,5-Dimethyl-1,2-dihydropyridine-2-thione |
| IUPAC Name | 3,5-dimethyl-1H-pyridine-2-thione |
| InChI | InChI=1S/C7H9NS/c1-5-3-6(2)7(9)8-4-5/h3-4H,1-2H3,(H,8,9) |
| InChI Key | BHBRPUREBKACHW-UHFFFAOYSA-N |
| MDL Number | MFCD19220104 |
| Molecular Formula | C7H9NS |
| Molecular Weight | 139.2181 |
| SMILES | CC1C=C(C)C(=S)NC=1 |
| Synonyms | 142274-34-8,
3,5-dimethylpyridine-2-thiol,
SCHEMBL9130456,
ZINC45786981,
AKOS006359612,
2(1H)-Pyridinethione,3,5-dimethyl-(9CI),
3,5-Dimethyl-1,2-dihydropyridine-2-thione,
3,5-Dimethyl-1H-pyridine-2-thione,
2(1H)-Pyridinethione, 3,5-dimethyl- (9CI),
|
| Complexity | 201 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 139.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 139.216g/mol |
| Monoisotopic Mass | 139.046g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 44.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
Lot Number