| CAS Number | 1354952-56-9 |
| Catalog Number | AG019S3E |
| Chemical Name | 2-[(4-bromophenyl)sulfanyl]-2-methylpropan-1-amine |
| IUPAC Name | 2-(4-bromophenyl)sulfanyl-2-methylpropan-1-amine |
| InChI | InChI=1S/C10H14BrNS/c1-10(2,7-12)13-9-5-3-8(11)4-6-9/h3-6H,7,12H2,1-2H3 |
| InChI Key | SKFOVLBLQPMVTK-UHFFFAOYSA-N |
| MDL Number | MFCD20501954 |
| Molecular Formula | C10H14BrNS |
| Molecular Weight | 260.1939 |
| SMILES | CC(SC1=CC=C(Br)C=C1)(CN)C |
| Synonyms | 1-[(1-amino-2-methylpropan-2-yl)sulfanyl]-4-bromobenzene,
1354952-56-9,
2-[(4-bromophenyl)sulfanyl]-2-methylpropan-1-amine,
ZINC71790309,
AKOS014574417,
MCULE-4516752457,
NE16635,
EN300-91639,
Z1267773507,
|
| Complexity | 153 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.003g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.193g/mol |
| Monoisotopic Mass | 259.003g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 51.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number