| CAS Number | 1381944-73-5 |
| Catalog Number | AG00187N(AGN-PC-0WA6VN) |
| Chemical Name | 2-Methoxy-5-[4-(methylsulfanyl)phenyl]pyridine |
| IUPAC Name | 2-methoxy-5-(4-methylsulfanylphenyl)pyridine |
| InChI | InChI=1S/C13H13NOS/c1-15-13-8-5-11(9-14-13)10-3-6-12(16-2)7-4-10/h3-9H,1-2H3 |
| InChI Key | FKLIYXCNPSCFFP-UHFFFAOYSA-N |
| MDL Number | MFCD22375066 |
| Molecular Formula | C13H13NOS |
| Molecular Weight | 231.3134 |
| SMILES | CSc1ccc(cc1)c1ccc(nc1)OC |
| Synonyms | 2-Methoxy-5-[4-(methylsulfanyl)phenyl]pyridine,
1381944-73-5,
ACMC-209cgq,
CTK8B0740,
DTXSID60743062,
ANW-20424,
MFCD22375066,
ZINC85477323,
TC-109169,
V2845,
B-9764,
Pyridine, 2-methoxy-5-[4-(methylthio)phenyl]-,
C13H13NOS,
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| Complexity | 204 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.313g/mol |
| Monoisotopic Mass | 231.072g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 47.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number