| CAS Number | 1067530-19-1 |
| Catalog Number | AG00945H |
| Chemical Name | 5-(Methylsulfonyl)pyridin-3-amine |
| IUPAC Name | 5-methylsulfonylpyridin-3-amine |
| InChI | InChI=1S/C6H8N2O2S/c1-11(9,10)6-2-5(7)3-8-4-6/h2-4H,7H2,1H3 |
| InChI Key | JGIVFUZYNGOHHY-UHFFFAOYSA-N |
| MDL Number | MFCD24642182 |
| Molecular Formula | C6H8N2O2S |
| Molecular Weight | 172.2049 |
| SMILES | CS(=O)(=O)C=1C=C(C=NC1)N |
| Synonyms | 5-(methylsulfonyl)pyridin-3-amine,
1067530-19-1,
SCHEMBL3662470,
5-methylsulfonylpyridin-3-amine,
JGIVFUZYNGOHHY-UHFFFAOYSA-N,
MFCD24642182,
AKOS024055926,
CS-0062030,
5-Methanesulfonyl-pyridin-3-ylamine,
ACN-036995,
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| Complexity | 219 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 172.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 172.202g/mol |
| Monoisotopic Mass | 172.031g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 81.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.6 |
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Certificate of Analysis
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