| CAS Number | 88738-51-6 |
| Catalog Number | AG004E20(AGN-PC-00LBPC) |
| Chemical Name | {[(3-Bromopropyl)sulfanyl]methyl}benzene |
| IUPAC Name | 3-bromopropylsulfanylmethylbenzene |
| InChI | InChI=1S/C10H13BrS/c11-7-4-8-12-9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2 |
| InChI Key | ALSWGXGRTQDHEB-UHFFFAOYSA-N |
| MDL Number | MFCD12172069 |
| Molecular Formula | C10H13BrS |
| Molecular Weight | 245.1792 |
| SMILES | BrCCCSCC1=CC=CC=C1 |
| Synonyms | {[(3-bromopropyl)sulfanyl]methyl}benzene,
88738-51-6,
Benzene, [[(3-bromopropyl)thio]methyl]-,
ACMC-20ldl4,
Benzyl(3-bromopropyl) sulfide,
SCHEMBL6042549,
CTK3A6734,
DTXSID60525380,
ZINC35321674,
NE29750,
EN300-78378,
3-bromopropylsulfanylmethylbenzene,
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| Complexity | 100 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.992g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.178g/mol |
| Monoisotopic Mass | 243.992g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 25.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number