| CAS Number | 860427-21-0 |
| Catalog Number | AG01E23M |
| Chemical Name | 5-Isothiocyanato-2-methylpyridine |
| IUPAC Name | 5-isothiocyanato-2-methylpyridine |
| InChI | InChI=1S/C7H6N2S/c1-6-2-3-7(4-8-6)9-5-10/h2-4H,1H3 |
| InChI Key | NBAODYMCMUGIBS-UHFFFAOYSA-N |
| MDL Number | MFCD24124913 |
| Molecular Formula | C7H6N2S |
| Molecular Weight | 150.2009 |
| SMILES | CC1=NC=C(N=C=S)C=C1 |
| Synonyms | 5-isothiocyanato-2-methylpyridine,
860427-21-0,
Pyridine, 5-isothiocyanato-2-methyl-,
AKOS020125888,
|
| Complexity | 152 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 150.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 150.199g/mol |
| Monoisotopic Mass | 150.025g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 57.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number