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1240424-27-4 | (m-tolylsulfonyl)methionine
CAS No: 1240424-27-4 Catalog No: AG01FN3K MDL No:MFCD07433683
Product Description
Catalog Number:
AG01FN3K
Chemical Name:
(m-tolylsulfonyl)methionine
CAS Number:
1240424-27-4
Molecular Formula:
C12H17NO4S2
Molecular Weight:
303.3977
MDL Number:
MFCD07433683
IUPAC Name:
2-[(3-methylphenyl)sulfonylamino]-4-methylsulfanylbutanoic acid
InChI:
InChI=1S/C12H17NO4S2/c1-9-4-3-5-10(8-9)19(16,17)13-11(12(14)15)6-7-18-2/h3-5,8,11,13H,6-7H2,1-2H3,(H,14,15)
InChI Key:
HONSGGYAQAWECA-UHFFFAOYSA-N
SMILES:
CSCCC(C(=O)O)NS(=O)(=O)c1cccc(c1)C
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.06g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
303.391g/mol
Monoisotopic Mass:
303.06g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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