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Home > Other Heterocycles > 1690364-51-2
1690364-51-2 | rac- (1R,5S,9s)-7-benzyl-3-thia-7-azabicyclo[3.3.1]nonane-9-carbonitrile
CAS No: 1690364-51-2 Catalog No: AG01BFV6 MDL No:MFCD28118727
Product Description
Catalog Number:
AG01BFV6
Chemical Name:
rac- (1R,5S,9s)-7-benzyl-3-thia-7-azabicyclo[3.3.1]nonane-9-carbonitrile
CAS Number:
1690364-51-2
Molecular Formula:
C15H18N2S
Molecular Weight:
258.3818
MDL Number:
MFCD28118727
IUPAC Name:
(1R,5S)-7-benzyl-3-thia-7-azabicyclo[3.3.1]nonane-9-carbonitrile
InChI:
InChI=1S/C15H18N2S/c16-6-15-13-8-17(9-14(15)11-18-10-13)7-12-4-2-1-3-5-12/h1-5,13-15H,7-11H2/t13-,14+,15?
InChI Key:
MNHXONWSQPABFI-YIONKMFJSA-N
SMILES:
N#C[C@@H]1[C@H]2CSC[C@@H]1CN(C2)Cc1ccccc1
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
258.119g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.383g/mol
Monoisotopic Mass:
258.119g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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