| CAS Number | 612802-16-1 |
| Catalog Number | AG019H5G |
| Chemical Name | 4-(2,4-Dichloro-phenoxymethyl)-thiazol-2-ylamine |
| IUPAC Name | 4-[(2,4-dichlorophenoxy)methyl]-1,3-thiazol-2-amine |
| InChI | InChI=1S/C10H8Cl2N2OS/c11-6-1-2-9(8(12)3-6)15-4-7-5-16-10(13)14-7/h1-3,5H,4H2,(H2,13,14) |
| InChI Key | GFSXHILIKBSMEL-UHFFFAOYSA-N |
| MDL Number | MFCD18483405 |
| Molecular Formula | C10H8Cl2N2OS |
| Molecular Weight | 275.1543 |
| SMILES | NC1SC=C(COC2=C(Cl)C=C(Cl)C=C2)N=1 |
| Synonyms | 612802-16-1,
4-(2,4-dichlorophenoxymethyl)-1,3-thiazol-2-amine,
4-(2,4-Dichloro-phenoxymethyl)-thiazol-2-ylamine,
4-[(2,4-dichlorophenoxy)methyl]-1,3-thiazol-2-amine,
AC1LU09O,
AC1Q52QI,
CTK6G8225,
ZINC1476083,
AKOS000122090,
MCULE-9062357502,
EN300-02610,
Z235288745,
ZINC01476083,
CID1543817,
|
| Complexity | 235 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 273.973g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 275.147g/mol |
| Monoisotopic Mass | 273.973g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 76.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number