| CAS Number | 161158-47-0 |
| Catalog Number | AG019T2K(AGN-PC-02YXSN) |
| Chemical Name | 2-methyl-2-(methylsulfanyl)propan-1-amine |
| IUPAC Name | 2-methyl-2-methylsulfanylpropan-1-amine |
| InChI | InChI=1S/C5H13NS/c1-5(2,4-6)7-3/h4,6H2,1-3H3 |
| InChI Key | LWAXRLLIANZTNW-UHFFFAOYSA-N |
| MDL Number | MFCD19212401 |
| Molecular Formula | C5H13NS |
| Molecular Weight | 119.2284 |
| SMILES | CSC(CN)(C)C |
| Synonyms | 2-methyl-2-(methylsulfanyl)propan-1-amine,
161158-47-0,
SCHEMBL4688832,
ZINC71790834,
AKOS006347759,
MCULE-2872927545,
NE19328,
F8880-5004,
Z1276496848,
|
| Complexity | 52 |
| 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 | 2 |
| Topological Polar Surface Area | 51.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number