| CAS Number | 60116-75-8 |
| Catalog Number | AG01EI4P |
| Chemical Name | 2-(Benzylsulfanyl)propan-1-amine |
| IUPAC Name | 2-benzylsulfanylpropan-1-amine |
| InChI | InChI=1S/C10H15NS/c1-9(7-11)12-8-10-5-3-2-4-6-10/h2-6,9H,7-8,11H2,1H3 |
| InChI Key | OXAHKDSMEQAHBZ-UHFFFAOYSA-N |
| MDL Number | MFCD16077778 |
| Molecular Formula | C10H15NS |
| Molecular Weight | 181.2978 |
| SMILES | CC(SCC1=CC=CC=C1)CN |
| Synonyms | SCHEMBL11570892,
SCHEMBL11702272,
2-(benzylsulfanyl)propan-1-amine,
AKOS010957605,
60116-75-8,
2-benzylthio propylamine,
|
| Complexity | 110 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.093g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.297g/mol |
| Monoisotopic Mass | 181.093g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 51.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
Lot Number