| CAS Number | 1330750-21-4 |
| Catalog Number | AG00146S(AGN-PC-0AC0YP) |
| Chemical Name | 5-Bromo-2-(cyclopentylsulfanyl)pyrimidine |
| IUPAC Name | 5-bromo-2-cyclopentylsulfanylpyrimidine |
| InChI | InChI=1S/C9H11BrN2S/c10-7-5-11-9(12-6-7)13-8-3-1-2-4-8/h5-6,8H,1-4H2 |
| InChI Key | JTKWGTIEYQTMKZ-UHFFFAOYSA-N |
| MDL Number | MFCD18903111 |
| Molecular Formula | C9H11BrN2S |
| Molecular Weight | 259.1660 |
| SMILES | Brc1cnc(nc1)SC1CCCC1 |
| Synonyms | 5-Bromo-2-(cyclopentylsulfanyl)pyrimidine,
1330750-21-4,
ACMC-209bqs,
C9H11BrN2S,
CTK8B0160,
DTXSID20716575,
ANW-19490,
MFCD18903111,
ZINC67119996,
AKOS008228077,
Pyrimidine, 5-bromo-2-(cyclopentylthio)-,
TC-108235,
Z9670,
K-4174,
I03-772,
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| Complexity | 154 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.983g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.165g/mol |
| Monoisotopic Mass | 257.983g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 51.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number