| CAS Number | 1423028-14-1 |
| Catalog Number | AG01A2OR(AGN-PC-0WOU6M) |
| Chemical Name | 2-[(2-Methylpropyl)sulfanyl]ethan-1-amine hydrochloride |
| IUPAC Name | 2-(2-methylpropylsulfanyl)ethanamine;hydrochloride |
| InChI | InChI=1S/C6H15NS.ClH/c1-6(2)5-8-4-3-7;/h6H,3-5,7H2,1-2H3;1H |
| InChI Key | AHXOYRZBBFSRFS-UHFFFAOYSA-N |
| MDL Number | MFCD22578678 |
| Molecular Formula | C6H16ClNS |
| Molecular Weight | 169.7159 |
| SMILES | Cl.CC(CSCCN)C |
| Synonyms | 2-[(2-methylpropyl)sulfanyl]ethan-1-amine hydrochloride,
1423028-14-1,
SCHEMBL11807727,
AKOS026743618,
MCULE-6100886830,
NE31635,
A1-06075,
Z1520645037,
|
| Complexity | 45.8 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 169.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 169.711g/mol |
| Monoisotopic Mass | 169.069g/mol |
| Rotatable Bond Count | 4 |
| 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