Home Other Building Blocks 2-hydroxy-4-(methylsulfanyl)butanamide

2-hydroxy-4-(methylsulfanyl)butanamide

CAS No.:
49540-21-8
Catalog Number:
AG01A0C1
Molecular Formula:
C5H11NO2S
Molecular Weight:
149.2113
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Product Description
Catalog Number:
AG01A0C1
Chemical Name:
2-hydroxy-4-(methylsulfanyl)butanamide
CAS Number:
49540-21-8
Molecular Formula:
C5H11NO2S
Molecular Weight:
149.2113
MDL Number:
MFCD16694143
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
SMILES:
CSCCC(C(=O)N)O
Properties
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  
Properties