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1156268-50-6 | [Methyl-(4-methylsulfanyl-benzyl)-amino]-acetic acid
CAS No: 1156268-50-6 Catalog No: AG01F8EL MDL No:
Product Description
Catalog Number:
AG01F8EL
Chemical Name:
[Methyl-(4-methylsulfanyl-benzyl)-amino]-acetic acid
CAS Number:
1156268-50-6
Molecular Formula:
C11H15NO2S
Molecular Weight:
225.3073
IUPAC Name:
2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetic acid
InChI:
InChI=1S/C11H15NO2S/c1-12(8-11(13)14)7-9-3-5-10(15-2)6-4-9/h3-6H,7-8H2,1-2H3,(H,13,14)
InChI Key:
CIEOAMHPPJYEIX-UHFFFAOYSA-N
SMILES:
CSc1ccc(cc1)CN(CC(=O)O)C
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.082g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.306g/mol
Monoisotopic Mass:
225.082g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
65.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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