| CAS Number | 1199773-23-3 |
| Catalog Number | AG000PXJ(AGN-PC-09MR4D) |
| Chemical Name | 5-Bromo-2-(Propylthio)Pyrimidine |
| IUPAC Name | 5-bromo-2-propylsulfanylpyrimidine |
| InChI | InChI=1S/C7H9BrN2S/c1-2-3-11-7-9-4-6(8)5-10-7/h4-5H,2-3H2,1H3 |
| InChI Key | REVQSUAMCUMXGQ-UHFFFAOYSA-N |
| MDL Number | MFCD13195791 |
| Molecular Formula | C7H9BrN2S |
| Molecular Weight | 233.1288 |
| SMILES | CCCSC1=NC=C(Br)C=N1 |
| Synonyms | 5-Bromo-2-(propylthio)pyrimidine,
1199773-23-3,
5-Bromo-2-(propylsulfanyl)pyrimidine,
ACMC-209a59,
CTK4B1587,
DTXSID20681092,
ANW-17419,
MFCD13195791,
ZINC40456714,
AKOS013182010,
Pyrimidine, 5-bromo-2-(propylthio)-,
AJ-103328,
ST2406095,
TR-034411,
Z8160,
A-5371,
I03-776,
C7H9BrN2S,
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| Complexity | 105 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.967g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.127g/mol |
| Monoisotopic Mass | 231.967g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 51.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number