| CAS Number | 149525-97-3 |
| Catalog Number | AG01A42N(AGN-PC-03MQ9M) |
| Chemical Name | 4-(Methylsulfanyl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine |
| IUPAC Name | 4-methylsulfanyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine |
| InChI | InChI=1S/C5H5F3N4S/c1-13-4-11-2(5(6,7)8)10-3(9)12-4/h1H3,(H2,9,10,11,12) |
| InChI Key | SCRPYPQDRSFLLF-UHFFFAOYSA-N |
| MDL Number | MFCD24638016 |
| Molecular Formula | C5H5F3N4S |
| Molecular Weight | 210.1802 |
| SMILES | CSC1=NC(C(F)(F)F)=NC(N)=N1 |
| Synonyms | 4-(methylsulfanyl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine,
149525-97-3,
SCHEMBL5864553,
SCRPYPQDRSFLLF-UHFFFAOYSA-N,
ZINC89496631,
AKOS026726960,
MCULE-4924856899,
NE36227,
2-amino-4-methylthio-6-trifluoromethyl-1,3,5-triazine,
Z1569708995,
4-(methylthio)-6-(trifluoromethyl)-1,3,5-triazin-2-amine,
|
| Complexity | 176 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.018702g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.18g/mol |
| Monoisotopic Mass | 210.018702g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 90Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number