| CAS Number | 79686-18-3 |
| Catalog Number | AG008LND(AGN-PC-02TQTH) |
| Chemical Name | 2-(Benzylthio)-5-bromopyrimidine |
| IUPAC Name | 2-benzylsulfanyl-5-bromopyrimidine |
| InChI | InChI=1S/C11H9BrN2S/c12-10-6-13-11(14-7-10)15-8-9-4-2-1-3-5-9/h1-7H,8H2 |
| InChI Key | LXOANVAJTYXINB-UHFFFAOYSA-N |
| MDL Number | MFCD16660315 |
| Molecular Formula | C11H9BrN2S |
| Molecular Weight | 281.1716 |
| SMILES | BrC1=CN=C(SCC2=CC=CC=C2)N=C1 |
| Synonyms | 2-(Benzylthio)-5-bromopyrimidine,
79686-18-3,
ACMC-209pi0,
2-Benzylthio-5-bromopyrimidine,
SCHEMBL10973574,
CTK5E7020,
DTXSID20607717,
LXOANVAJTYXINB-UHFFFAOYSA-N,
ANW-37318,
MFCD16660315,
ZINC65337507,
2-(Benzylsulfanyl)-5-bromopyrimidine,
AKOS013182311,
AJ-115198,
TR-037867,
V7808,
2-(Benzylthio)-5-bromopyrimidine, AldrichCPR,
B-4004,
I03-810,
C11H9BrN2S,
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| Complexity | 177 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 279.967g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 281.171g/mol |
| Monoisotopic Mass | 279.967g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 51.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number