Home Sulfos 2-ethanesulfonamido-4-(methylsulfanyl)butanoic acid

2-ethanesulfonamido-4-(methylsulfanyl)butanoic acid

CAS No.:
1009529-97-8
Catalog Number:
AG019NWN
Molecular Formula:
C7H15NO4S2
Molecular Weight:
241.3283
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Product Description
Catalog Number:
AG019NWN
Chemical Name:
2-ethanesulfonamido-4-(methylsulfanyl)butanoic acid
CAS Number:
1009529-97-8
Molecular Formula:
C7H15NO4S2
Molecular Weight:
241.3283
MDL Number:
MFCD06369254
IUPAC Name:
2-(ethylsulfonylamino)-4-methylsulfanylbutanoic acid
InChI:
InChI=1S/C7H15NO4S2/c1-3-14(11,12)8-6(7(9)10)4-5-13-2/h6,8H,3-5H2,1-2H3,(H,9,10)
InChI Key:
MJTCKHBNYRVDBV-UHFFFAOYSA-N
SMILES:
CSCCC(C(=O)O)NS(=O)(=O)CC
Properties
Complexity:
270  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.044g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
241.32g/mol
Monoisotopic Mass:
241.044g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties