2-Hydroxy-4-(methylthio)butanamide - CAS 49540-21-8
Catalog: |
BB026719 |
Product Name: |
2-Hydroxy-4-(methylthio)butanamide |
CAS: |
49540-21-8 |
Synonyms: |
2-hydroxy-4-(methylthio)butanamide; 2-hydroxy-4-methylsulfanylbutanamide |
IUPAC Name: | 2-hydroxy-4-methylsulfanylbutanamide |
Description: | 2-Hydroxy-4-(methylthio)butanamide (CAS# 49540-21-8) is a useful research chemical. |
Molecular Weight: | 149.21 |
Molecular Formula: | C5H11NO2S |
Canonical SMILES: | CSCCC(C(=O)N)O |
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 |
LogP: | 0.73540 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021046234-A1 | Processes for the preparation of alpha-hydroxy esters by esterification of alpha-hydroxy acids | 20190906 |
WO-2021043188-A1 | Mixture containing methionine hydroxy analog and oligomer thereof, and preparation method therefor | 20190903 |
EP-3453701-A1 | Method for producing methionine and/or 2-hydroxy-4-(methylthio)butanoic acid | 20170908 |
EP-3453701-B1 | Method for producing methionine and/or 2-hydroxy-4-(methylthio)butanoic acid | 20170908 |
JP-2019048774-A | Process for producing methionine and / or 2-hydroxy-4- (methylthio) butanoic acid | 20170908 |
Complexity: | 97 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 149.05104977 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 149.05104977 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 88.6 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.5 |
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