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260788-97-4 | Ethanamine, 2-[[(2,4,6-trimethylphenyl)methyl]thio]-
CAS No: 260788-97-4 Catalog No: AG002RLJ MDL No:
Product Description
Catalog Number:
AG002RLJ
Chemical Name:
Ethanamine, 2-[[(2,4,6-trimethylphenyl)methyl]thio]-
CAS Number:
260788-97-4
Molecular Formula:
C12H19NS
Molecular Weight:
209.3510
IUPAC Name:
2-[(2,4,6-trimethylphenyl)methylsulfanyl]ethanamine
InChI:
InChI=1S/C12H19NS/c1-9-6-10(2)12(11(3)7-9)8-14-5-4-13/h6-7H,4-5,8,13H2,1-3H3
InChI Key:
QLTKTNZOICIYRL-UHFFFAOYSA-N
SMILES:
NCCSCc1c(C)cc(cc1C)C
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.124g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
209.351g/mol
Monoisotopic Mass:
209.124g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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