Home Sulfos 2-(butane-1-sulfonamido)-3-methylbutanoic acid

2-(butane-1-sulfonamido)-3-methylbutanoic acid

CAS No.:
75228-50-1
Catalog Number:
AG01EKBC
Molecular Formula:
C9H19NO4S
Molecular Weight:
237.3165
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Product Description
Catalog Number:
AG01EKBC
Chemical Name:
2-(butane-1-sulfonamido)-3-methylbutanoic acid
CAS Number:
75228-50-1
Molecular Formula:
C9H19NO4S
Molecular Weight:
237.3165
MDL Number:
MFCD08444782
IUPAC Name:
2-(butylsulfonylamino)-3-methylbutanoic acid
InChI:
InChI=1S/C9H19NO4S/c1-4-5-6-15(13,14)10-8(7(2)3)9(11)12/h7-8,10H,4-6H2,1-3H3,(H,11,12)
InChI Key:
JHELFOKTBJWHPA-UHFFFAOYSA-N
SMILES:
CCCCS(=O)(=O)NC(C(=O)O)C(C)C
Properties
Complexity:
292  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.103g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
237.314g/mol
Monoisotopic Mass:
237.103g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties