| CAS Number | 119549-23-4 |
| Catalog Number | AG0095N4(AGN-PC-00OVR0) |
| Chemical Name | (3-Bromopropyl)(tert-butyl)sulfane |
| IUPAC Name | 2-(3-bromopropylsulfanyl)-2-methylpropane |
| InChI | InChI=1S/C7H15BrS/c1-7(2,3)9-6-4-5-8/h4-6H2,1-3H3 |
| InChI Key | QESAOLFAFYVLJP-UHFFFAOYSA-N |
| MDL Number | MFCD12172031 |
| Molecular Formula | C7H15BrS |
| Molecular Weight | 211.163 |
| SMILES | CC(SCCCBr)(C)C |
| Synonyms | (3-bromopropyl)(tert-butyl)sulfane,
119549-23-4,
t-butyl bromopropyl thioether,
SCHEMBL4314202,
tert-Butyl(3-bromopropyl) sulfide,
ZINC34529550,
1-bromo-3-(tert-butylsulfanyl)propane,
AKOS009480747,
Propane, 2-[(3-bromopropyl)thio]-2-methyl-,
|
| Complexity | 65.8 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.008g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.161g/mol |
| Monoisotopic Mass | 210.008g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 25.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
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Certificate of Analysis
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