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1184641-55-1 | [Ethyl-(4-methylsulfanyl-benzyl)-amino]-acetic acid
CAS No: 1184641-55-1 Catalog No: AG01F8OL MDL No:
Product Description
Catalog Number:
AG01F8OL
Chemical Name:
[Ethyl-(4-methylsulfanyl-benzyl)-amino]-acetic acid
CAS Number:
1184641-55-1
Molecular Formula:
C12H17NO2S
Molecular Weight:
239.3339
IUPAC Name:
2-[ethyl-[(4-methylsulfanylphenyl)methyl]amino]acetic acid
InChI:
InChI=1S/C12H17NO2S/c1-3-13(9-12(14)15)8-10-4-6-11(16-2)7-5-10/h4-7H,3,8-9H2,1-2H3,(H,14,15)
InChI Key:
GSGLEPAHWQYWAB-UHFFFAOYSA-N
SMILES:
CCN(Cc1ccc(cc1)SC)CC(=O)O
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.098g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.333g/mol
Monoisotopic Mass:
239.098g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
65.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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