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1393654-69-7 | ((4-(tert-butyl)phenyl)sulfonyl)methionine
CAS No: 1393654-69-7 Catalog No: AG01FN3A MDL No:MFCD07433724
Product Description
Catalog Number:
AG01FN3A
Chemical Name:
((4-(tert-butyl)phenyl)sulfonyl)methionine
CAS Number:
1393654-69-7
Molecular Formula:
C15H23NO4S2
Molecular Weight:
345.4774
MDL Number:
MFCD07433724
IUPAC Name:
2-[(4-tert-butylphenyl)sulfonylamino]-4-methylsulfanylbutanoic acid
InChI:
InChI=1S/C15H23NO4S2/c1-15(2,3)11-5-7-12(8-6-11)22(19,20)16-13(14(17)18)9-10-21-4/h5-8,13,16H,9-10H2,1-4H3,(H,17,18)
InChI Key:
VMWPZNUUHUVDSP-UHFFFAOYSA-N
SMILES:
CSCCC(C(=O)O)NS(=O)(=O)c1ccc(cc1)C(C)(C)C
Properties
Complexity:
457
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.107g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
345.472g/mol
Monoisotopic Mass:
345.107g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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