| CAS Number | 1019484-54-8 |
| Catalog Number | AG01A8CU(AGN-PC-0WO5G5) |
| Chemical Name | 5-fluoro-2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]aniline |
| IUPAC Name | 5-fluoro-2-(1-methylimidazol-2-yl)sulfanylaniline |
| InChI | InChI=1S/C10H10FN3S/c1-14-5-4-13-10(14)15-9-3-2-7(11)6-8(9)12/h2-6H,12H2,1H3 |
| InChI Key | IYJFRYUKZZBWAC-UHFFFAOYSA-N |
| MDL Number | MFCD11135871 |
| Molecular Formula | C10H10FN3S |
| Molecular Weight | 223.2699 |
| SMILES | CN1C(SC2=C(N)C=C(F)C=C2)=NC=C1 |
| Synonyms | 5-fluoro-2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]aniline,
1019484-54-8,
AC1Q3YZB,
CTK7B9460,
ZINC19869331,
AKOS000222265,
NE28422,
EN300-61339,
|
| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.269g/mol |
| Monoisotopic Mass | 223.058g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 69.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number