| CAS Number | 1155909-91-3 |
| Catalog Number | AG01A910(AGN-PC-0WO4B0) |
| Chemical Name | 2-methyl-4-(pyrimidin-2-ylsulfanyl)aniline |
| IUPAC Name | 2-methyl-4-pyrimidin-2-ylsulfanylaniline |
| InChI | InChI=1S/C11H11N3S/c1-8-7-9(3-4-10(8)12)15-11-13-5-2-6-14-11/h2-7H,12H2,1H3 |
| InChI Key | GMQQDMCLEHUURT-UHFFFAOYSA-N |
| MDL Number | MFCD12169277 |
| Molecular Formula | C11H11N3S |
| Molecular Weight | 217.2901 |
| SMILES | CC1=C(N)C=CC(SC2=NC=CC=N2)=C1 |
| Synonyms | 2-methyl-4-(pyrimidin-2-ylsulfanyl)aniline,
1155909-91-3,
AC1Q2FL0,
ZINC35278611,
AKOS008130447,
MCULE-7879311782,
NE38158,
EN300-63927,
Z1262254275,
|
| Complexity | 194 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.29g/mol |
| Monoisotopic Mass | 217.067g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 77.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number