| CAS Number | 556009-97-3 |
| Catalog Number | AG019IF4 |
| Chemical Name | 4-(2,4-dichlorophenyl)-N-propyl-1,3-thiazol-2-amine |
| IUPAC Name | 4-(2,4-dichlorophenyl)-N-propyl-1,3-thiazol-2-amine |
| InChI | InChI=1S/C12H12Cl2N2S/c1-2-5-15-12-16-11(7-17-12)9-4-3-8(13)6-10(9)14/h3-4,6-7H,2,5H2,1H3,(H,15,16) |
| InChI Key | IFWTVDLKDVFWIG-UHFFFAOYSA-N |
| MDL Number | MFCD04608665 |
| Molecular Formula | C12H12Cl2N2S |
| Molecular Weight | 287.2081 |
| SMILES | CCCNC1SC=C(C2=C(Cl)C=C(Cl)C=C2)N=1 |
| Synonyms | 4-(2,4-dichlorophenyl)-N-propyl-1,3-thiazol-2-amine,
556009-97-3,
[4-(2,4-Dichloro-phenyl)-thiazol-2-yl]-propyl-amine,
AC1M7RUK,
AC1Q2Y3Z,
ZINC3331466,
AKOS005198893,
MCULE-2513651926,
NE44999,
NCGC00318793-01,
EN300-06548,
AB01312917-01,
Z48858929,
ZINC03331466,
CID2447543,
|
| Complexity | 243 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 286.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 287.202g/mol |
| Monoisotopic Mass | 286.01g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 53.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number