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71539-35-0 | Benzeneethanamine, 3,5-dimethoxy-4-(methylthio)-
CAS No: 71539-35-0 Catalog No: AG005GS9 MDL No:
Product Description
Catalog Number:
AG005GS9
Chemical Name:
Benzeneethanamine, 3,5-dimethoxy-4-(methylthio)-
CAS Number:
71539-35-0
Molecular Formula:
C11H17NO2S
Molecular Weight:
227.3232
IUPAC Name:
2-(3,5-dimethoxy-4-methylsulfanylphenyl)ethanamine
InChI:
InChI=1S/C11H17NO2S/c1-13-9-6-8(4-5-12)7-10(14-2)11(9)15-3/h6-7H,4-5,12H2,1-3H3
InChI Key:
FYTOAZIRBXNPKZ-UHFFFAOYSA-N
SMILES:
NCCc1cc(OC)c(c(c1)OC)SC
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.098g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.322g/mol
Monoisotopic Mass:
227.098g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
69.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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