| CAS Number | 1019363-45-1 |
| Catalog Number | AG00IRU2(AGN-PC-0WAY9T) |
| Chemical Name | 6-((4-Methoxyphenyl)thio)pyridin-3-amine |
| IUPAC Name | 6-(4-methoxyphenyl)sulfanylpyridin-3-amine |
| InChI | InChI=1S/C12H12N2OS/c1-15-10-3-5-11(6-4-10)16-12-7-2-9(13)8-14-12/h2-8H,13H2,1H3 |
| InChI Key | TUSQFWHRJUNOHC-UHFFFAOYSA-N |
| MDL Number | MFCD11132352 |
| Molecular Formula | C12H12N2OS |
| Molecular Weight | 232.3015 |
| SMILES | S(C1(=NC=C(N)C=C1))C2(=CC=C(OC)C=C2) |
| Synonyms | 6-[(4-methoxyphenyl)sulfanyl]-3-pyridinylamine,
1019363-45-1,
6-((4-Methoxyphenyl)thio)pyridin-3-amine,
6-[(4-methoxyphenyl)sulfanyl]pyridin-3-amine,
A1-02652,
CTK7A5473,
methoxyphenylsulfanylpyridinylamine,
KS-000022XQ,
ZX-RL002967,
MFCD11132352,
ZINC19845579,
AKOS000215533,
BE-0775,
MCULE-5843433542,
RP13360,
AJ-75348,
OR303740,
BC4161296,
TR-071124,
6-(4-Methoxy-phenylsulfanyl)-pyridin-3-ylamine,
|
| Complexity | 207 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.301g/mol |
| Monoisotopic Mass | 232.067g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 73.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number