(6S,10bS)-6-(4-methylsulfanylphenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline


Chemical Name: (6S,10bS)-6-(4-methylsulfanylphenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline
CAS Number: 96795-89-0
Product Number: AG01ENQ3(AGN-PC-073JQZ)
Synonyms:
MDL No:
Molecular Formula: C19H21NS
Molecular Weight: 295.4417

Identification/Properties


Computed Properties
Molecular Weight:
295.444g/mol
XLogP3:
4.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
295.139g/mol
Monoisotopic Mass:
295.139g/mol
Topological Polar Surface Area:
28.5A^2
Heavy Atom Count:
21
Formal Charge:
0
Complexity:
350
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
2
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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