3-(Methylsulfanyl)pyridin-2-amine - CAS 183610-73-3
Catalog: |
BB056367 |
Product Name: |
3-(Methylsulfanyl)pyridin-2-amine |
CAS: |
183610-73-3 |
Synonyms: |
3-(Methylthio)-2-pyridinamine; 2-Amino-3-(methylthio)pyridine |
IUPAC Name: | 3-methylsulfanylpyridin-2-amine |
Description: | 3-(methylsulfanyl)pyridin-2-amine is a reagent used in the preparation of dipyridyl amines as metabotropic glutamate subtype 5 (mGluR5) receptor antagonists. |
Molecular Weight: | 140.21 |
Molecular Formula: | C6H8N2S |
Canonical SMILES: | CSC1=C(N=CC=C1)N |
InChI: | InChI=1S/C6H8N2S/c1-9-5-3-2-4-8-6(5)7/h2-4H,1H3,(H2,7,8) |
InChI Key: | FODHGTMFSOOZEY-UHFFFAOYSA-N |
References: | Kamenecka, T. M., et al.; Bioorg. Med. Chem. Lett., 15, 4350 (2005). |
Complexity: | 87.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 140.04081944 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 140.04081944 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 64.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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