| CAS Number | 5755-60-2 |
| Catalog Number | AG01B95K(AGN-PC-06MVY0) |
| Chemical Name | 2-[(2-bromoethyl)sulfanyl]-2-methylpropane |
| IUPAC Name | 2-(2-bromoethylsulfanyl)-2-methylpropane |
| InChI | InChI=1S/C6H13BrS/c1-6(2,3)8-5-4-7/h4-5H2,1-3H3 |
| InChI Key | HPXSZQNSRRWXRY-UHFFFAOYSA-N |
| MDL Number | MFCD12172032 |
| Molecular Formula | C6H13BrS |
| Molecular Weight | 197.1364 |
| SMILES | CC(C)(SCCBr)C |
| Synonyms | 2-[(2-bromoethyl)sulfanyl]-2-methylpropane,
5755-60-2,
SCHEMBL7206025,
CTK1F1764,
DTXSID60656042,
ZINC35321633,
AKOS009480748,
Propane, 2-[(2-bromoethyl)thio]-2-methyl-,
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| Complexity | 56 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.992g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.134g/mol |
| Monoisotopic Mass | 195.992g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 25.3A^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