| CAS Number | 893738-44-8 |
| Catalog Number | AG00694I(AGN-PC-0WA62I) |
| Chemical Name | 2-Amino-5-(4-methylthiophenyl)pyridine |
| IUPAC Name | 5-(4-methylsulfanylphenyl)pyridin-2-amine |
| InChI | InChI=1S/C12H12N2S/c1-15-11-5-2-9(3-6-11)10-4-7-12(13)14-8-10/h2-8H,1H3,(H2,13,14) |
| InChI Key | PASVSYPWLDYLMD-UHFFFAOYSA-N |
| MDL Number | MFCD06802148 |
| Molecular Formula | C12H12N2S |
| Molecular Weight | 216.3021 |
| SMILES | N1C=C(C=CC=1N)C1C=CC(=CC=1)SC |
| Synonyms | 893738-44-8,
5-[4-(Methylsulfanyl)phenyl]-2-pyridinamine,
ZINC16946527,
AKOS004116485,
BB 0223197,
V8810,
2-Amino-5-(4-methylthiophenyl)pyridine,
C12H12N2S,
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| Complexity | 190 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.07212g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.3g/mol |
| Monoisotopic Mass | 216.07212g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 64.2Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
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