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102206-57-5 | 2-Propanamine, N,N-diethyl-1-[(3-pyridinylmethyl)thio]-
CAS No: 102206-57-5 Catalog No: AG0006WQ MDL No:
Product Description
Catalog Number:
AG0006WQ
Chemical Name:
2-Propanamine, N,N-diethyl-1-[(3-pyridinylmethyl)thio]-
CAS Number:
102206-57-5
Molecular Formula:
C13H22N2S
Molecular Weight:
238.3922
IUPAC Name:
N,N-diethyl-1-(pyridin-3-ylmethylsulfanyl)propan-2-amine
InChI:
InChI=1S/C13H22N2S/c1-4-15(5-2)12(3)10-16-11-13-7-6-8-14-9-13/h6-9,12H,4-5,10-11H2,1-3H3
InChI Key:
RZVVBSKNRTVPLD-UHFFFAOYSA-N
SMILES:
CCN(C(CSCc1cccnc1)C)CC
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.15g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.393g/mol
Monoisotopic Mass:
238.15g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
41.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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