| CAS Number | 730949-72-1 |
| Catalog Number | AG019IFX |
| Chemical Name | N-butyl-4-(2,4-dichlorophenyl)-1,3-thiazol-2-amine |
| IUPAC Name | N-butyl-4-(2,4-dichlorophenyl)-1,3-thiazol-2-amine |
| InChI | InChI=1S/C13H14Cl2N2S/c1-2-3-6-16-13-17-12(8-18-13)10-5-4-9(14)7-11(10)15/h4-5,7-8H,2-3,6H2,1H3,(H,16,17) |
| InChI Key | GWQDAMGDNDSUDX-UHFFFAOYSA-N |
| MDL Number | MFCD04621465 |
| Molecular Formula | C13H14Cl2N2S |
| Molecular Weight | 301.2347 |
| SMILES | CCCCNC1SC=C(C2=C(Cl)C=C(Cl)C=C2)N=1 |
| Synonyms | N-butyl-4-(2,4-dichlorophenyl)-1,3-thiazol-2-amine,
730949-72-1,
Butyl-[4-(2,4-dichloro-phenyl)-thiazol-2-yl]-amine,
AC1M68QL,
AC1Q2X5M,
CTK6E2907,
ZINC3277989,
AKOS034401476,
MCULE-8538677535,
NE12926,
NCGC00276358-01,
EN300-06609,
AB01276882-01,
Z48858224,
ZINC03277989,
CID2393481,
|
| Complexity | 255 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 300.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 301.229g/mol |
| Monoisotopic Mass | 300.025g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 53.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number