| CAS Number | 49540-21-8 |
| Catalog Number | AG01A0C1(AGN-PC-04UCXR) |
| Chemical Name | 2-hydroxy-4-(methylsulfanyl)butanamide |
| IUPAC Name | 2-hydroxy-4-methylsulfanylbutanamide |
| InChI | InChI=1S/C5H11NO2S/c1-9-3-2-4(7)5(6)8/h4,7H,2-3H2,1H3,(H2,6,8) |
| InChI Key | INTUDBWOILOBCE-UHFFFAOYSA-N |
| MDL Number | MFCD16694143 |
| Molecular Formula | C5H11NO2S |
| Molecular Weight | 149.2113 |
| SMILES | OC(C(=O)N)CCSC |
| Synonyms | 2-hydroxy-4-(methylsulfanyl)butanamide,
2-hydroxy-4-(methylthio)butanamide,
49540-21-8,
2-hydroxy-4-(methylthio) butanamide,
SCHEMBL687227,
2-hydroxy-4-methylthiobutanamide,
CTK1D0803,
DTXSID50437963,
INTUDBWOILOBCE-UHFFFAOYSA-N,
2-hydroxy-4-methylsulfanylbutanamide,
2-hydroxy-4-(methylthio)-butaneamide,
AKOS011508290,
NE49786,
Butanamide, 2-hydroxy-4-(methylthio)-,
2-hydroxy-4-methylsulfanyl-butanamide,
CID10313220,
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| Complexity | 97 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 149.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 149.208g/mol |
| Monoisotopic Mass | 149.051g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 88.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number