| CAS Number | 723249-01-2 |
| Catalog Number | AG00FC1Y |
| Chemical Name | ZLN-024 |
| IUPAC Name | 2-[2-(2-bromo-4-methylphenoxy)ethylsulfanyl]pyrimidine |
| InChI | InChI=1S/C13H13BrN2OS/c1-10-3-4-12(11(14)9-10)17-7-8-18-13-15-5-2-6-16-13/h2-6,9H,7-8H2,1H3 |
| InChI Key | KWJRSHZSULRJHE-UHFFFAOYSA-N |
| MDL Number | MFCD05155678 |
| Molecular Formula | C13H13BrN2OS |
| Molecular Weight | 325.2241 |
| SMILES | CC1=CC=C(OCCSC2=NC=CC=N2)C(Br)=C1 |
| Synonyms | ZLN024,
ZLN024,
723249-01-2,
ZLN-024,
C13H13BrN2OS,
2-[2-(2-bromo-4-methylphenoxy)ethylsulfanyl]pyrimidine,
AC1LXGFP,
AOB4844,
SYN5044,
ZLN 024,
ZINC2191213,
4172AH,
AKOS024268532,
CS-3462,
AS-16410,
HY-16708,
2-(2-(2-bromo-4-methylphenoxy)ethylthio)pyrimidine,
2-[2-(2-Bromo-4-methyl-phenoxy)-ethylsulfanyl]-pyrimidine,
CID1825716,
B4839,
AJ-292/42547476,
|
| Complexity | 239 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 323.993g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 325.224g/mol |
| Monoisotopic Mass | 323.993g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 60.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number