| CAS Number | 3751-22-2 |
| Catalog Number | AG01BB0L |
| Chemical Name | 2-(Propan-2-ylsulfanyl)ethan-1-amine hydrochloride |
| IUPAC Name | 2-propan-2-ylsulfanylethanamine;hydrochloride |
| InChI | InChI=1S/C5H13NS.ClH/c1-5(2)7-4-3-6;/h5H,3-4,6H2,1-2H3;1H |
| InChI Key | HYOKJISSQZYCIM-UHFFFAOYSA-N |
| MDL Number | MFCD18205887 |
| Molecular Formula | C5H14ClNS |
| Molecular Weight | 155.6894 |
| SMILES | Cl.CC(SCCN)C |
| Synonyms | [2-(Isopropylthio)ethyl]amine hydrochloride,
3751-22-2,
2-(propan-2-ylsulfanyl)ethan-1-amine hydrochloride,
927-69-5,
DTXSID70716621,
AKOS015894565,
2-(isopropylsulfanyl)ethanamine hydrochloride,
FT-0683111,
I05-1548,
Z2092369402,
2-[(Propan-2-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1),
|
| Complexity | 37.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 155.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 155.684g/mol |
| Monoisotopic Mass | 155.054g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 51.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number