| CAS Number | 852388-93-3 |
| Catalog Number | AG019O43 |
| Chemical Name | 4-(2,4-Dichlorophenyl)-N-pentyl-1,3-thiazol-2-amine |
| IUPAC Name | 4-(2,4-dichlorophenyl)-N-pentyl-1,3-thiazol-2-amine |
| InChI | InChI=1S/C14H16Cl2N2S/c1-2-3-4-7-17-14-18-13(9-19-14)11-6-5-10(15)8-12(11)16/h5-6,8-9H,2-4,7H2,1H3,(H,17,18) |
| InChI Key | JJIXEMSYNYPVRL-UHFFFAOYSA-N |
| MDL Number | MFCD06655447 |
| Molecular Formula | C14H16Cl2N2S |
| Molecular Weight | 315.2612 |
| SMILES | CCCCCNC1SC=C(C2=C(Cl)C=C(Cl)C=C2)N=1 |
| Synonyms | 4-(2,4-dichlorophenyl)-N-pentyl-1,3-thiazol-2-amine,
852388-93-3,
AC1Q2WKV,
AC1M9L7T,
CTK6E1462,
ZINC3440539,
AKOS034637447,
MCULE-1844076981,
NE42150,
EN300-12721,
Z85934461,
ZINC03440539,
CID2560499,
|
| Complexity | 268 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 314.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 315.256g/mol |
| Monoisotopic Mass | 314.041g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 53.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number