| CAS Number | 157825-87-1 |
| Catalog Number | AG01E7DI |
| Chemical Name | 3-methanesulfinylpropan-1-amine hydrochloride |
| IUPAC Name | 3-methylsulfinylpropan-1-amine;hydrochloride |
| InChI | InChI=1S/C4H11NOS.ClH/c1-7(6)4-2-3-5;/h2-5H2,1H3;1H |
| InChI Key | XQESLKOBZABSLN-UHFFFAOYSA-N |
| MDL Number | MFCD30752179 |
| Molecular Formula | C4H12ClNOS |
| Molecular Weight | 157.6622 |
| SMILES | Cl.CS(CCCN)=O |
| Synonyms | SCHEMBL12478461,
3-Methanesulfinylpropan-1-amine hydrochloride,
157825-87-1,
|
| Complexity | 64.7 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 157.033g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 157.656g/mol |
| Monoisotopic Mass | 157.033g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 62.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
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