| CAS Number | 187587-70-8 |
| Catalog Number | AG00AD9E(AGN-PC-004L4Q) |
| Chemical Name | 4-Methanesulfinylbutan-1-amine |
| IUPAC Name | 4-methylsulfinylbutan-1-amine |
| InChI | InChI=1S/C5H13NOS/c1-8(7)5-3-2-4-6/h2-6H2,1H3 |
| InChI Key | FRRCFKLOPJSLMF-UHFFFAOYSA-N |
| MDL Number | MFCD09841007 |
| Molecular Formula | C5H13NOS |
| Molecular Weight | 135.2278 |
| SMILES | CS(CCCCN)=O |
| Synonyms | 4-(METHYLSULFINYL)-1-BUTYLAMINE,
187587-70-8,
908337-04-2,
84104-30-3,
4-(Methylsulfinyl)butylamine,
SCHEMBL371434,
CTK7E8172,
(R)-4-(Methylsulfinyl)butylamine,
4-METHANESULFINYLBUTAN-1-AMINE,
AKOS006326889,
(+/-)-1-amino-4-(methylsulfinyl)butane,
FT-0672147,
FT-0672153,
(R)-4-(Methylsulfinyl)-1-butylamine,
|
| Complexity | 74.8 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 135.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 135.225g/mol |
| Monoisotopic Mass | 135.072g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 62.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.9 |
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