| CAS Number | 105882-51-7 |
| Catalog Number | AG01AJIA(AGN-PC-0OVBID) |
| Chemical Name | 4-(Methylsulfanyl)butan-2-amine |
| IUPAC Name | 4-methylsulfanylbutan-2-amine |
| InChI | InChI=1S/C5H13NS/c1-5(6)3-4-7-2/h5H,3-4,6H2,1-2H3 |
| InChI Key | FNVNAEIAPMSQRL-UHFFFAOYSA-N |
| MDL Number | MFCD19214472 |
| Molecular Formula | C5H13NS |
| Molecular Weight | 119.2284 |
| SMILES | CSCCC(N)C |
| Synonyms | 4-(methylsulfanyl)butan-2-amine,
105882-51-7,
SCHEMBL2916585,
1-methyl-3-methylthiopropylamine,
FNVNAEIAPMSQRL-UHFFFAOYSA-N,
AKOS006350313,
NE59172,
EN300-80833,
|
| 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 |
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Certificate of Analysis
Lot Number