| CAS Number | 1309978-20-8 |
| Catalog Number | AG000V9D(AGN-PC-09PUXX) |
| Chemical Name | 2-(S-Cyclopentylthiomethyl)-1-bromobenzene |
| IUPAC Name | 1-bromo-2-(cyclopentylsulfanylmethyl)benzene |
| InChI | InChI=1S/C12H15BrS/c13-12-8-4-1-5-10(12)9-14-11-6-2-3-7-11/h1,4-5,8,11H,2-3,6-7,9H2 |
| InChI Key | REXVPYWEJRLLSN-UHFFFAOYSA-N |
| MDL Number | MFCD18262573 |
| Molecular Formula | C12H15BrS |
| Molecular Weight | 271.2165 |
| SMILES | Brc1ccccc1CSC1CCCC1 |
| Synonyms | 2-(S-Cyclopentylthiomethyl)-1-bromobenzene,
1309978-20-8,
ACMC-209bjz,
1-Bromo-2-[(cyclopentylsulfanyl)methyl]benzene,
C12H15BrS,
CTK8B0057,
DTXSID50681101,
ANW-19245,
MFCD18262573,
ZINC65331647,
AKOS008951225,
TC-107990,
Z9523,
Benzene, 1-bromo-2-[(cyclopentylthio)methyl]-,
I01-11431,
1-bromo-2-(cyclopentylsulfanylmethyl)benzene,
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| Complexity | 166 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 270.008g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.216g/mol |
| Monoisotopic Mass | 270.008g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 25.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number