| CAS Number | 133303-68-1 |
| Catalog Number | AG01A87A(AGN-PC-0WO3S8) |
| Chemical Name | 5-chloro-2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]aniline |
| IUPAC Name | 5-chloro-2-(1-methylimidazol-2-yl)sulfanylaniline |
| InChI | InChI=1S/C10H10ClN3S/c1-14-5-4-13-10(14)15-9-3-2-7(11)6-8(9)12/h2-6H,12H2,1H3 |
| InChI Key | WTYXISQJDIFDBJ-UHFFFAOYSA-N |
| MDL Number | MFCD11132286 |
| Molecular Formula | C10H10ClN3S |
| Molecular Weight | 239.7245 |
| SMILES | CN1C(SC2=C(N)C=C(Cl)C=C2)=NC=C1 |
| Synonyms | 5-chloro-2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]aniline,
133303-68-1,
AC1Q3YZA,
SCHEMBL10396023,
CTK6G8567,
ZINC19845503,
AKOS000214981,
NE18382,
EN300-60913,
|
| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.028g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.721g/mol |
| Monoisotopic Mass | 239.028g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 69.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number