| CAS Number | 1183068-93-0 |
| Catalog Number | AG01AHSJ(AGN-PC-0WOBEQ) |
| Chemical Name | 2-methyl-3-(methylsulfanyl)propan-1-amine |
| IUPAC Name | 2-methyl-3-methylsulfanylpropan-1-amine |
| InChI | InChI=1S/C5H13NS/c1-5(3-6)4-7-2/h5H,3-4,6H2,1-2H3 |
| InChI Key | SKMIZTANAVSWRO-UHFFFAOYSA-N |
| MDL Number | MFCD12823762 |
| Molecular Formula | C5H13NS |
| Molecular Weight | 119.2284 |
| SMILES | CSCC(CN)C |
| Synonyms | 2-methyl-3-(methylsulfanyl)propan-1-amine,
1183068-93-0,
SCHEMBL5200403,
AKOS010251483,
MCULE-4493405290,
NE57914,
EN300-75667,
Z1267882071,
|
| Complexity | 39.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 119.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 119.226g/mol |
| Monoisotopic Mass | 119.077g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 51.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number