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Home > Other Heterocycles > 87568-60-3
87568-60-3 | 1-Azabicyclo[3.2.0]heptan-7-one, 2-[(phenylthio)methyl]-, cis-
CAS No: 87568-60-3 Catalog No: AG004R1F MDL No:
Product Description
Catalog Number:
AG004R1F
Chemical Name:
1-Azabicyclo[3.2.0]heptan-7-one, 2-[(phenylthio)methyl]-, cis-
CAS Number:
87568-60-3
Molecular Formula:
C13H15NOS
Molecular Weight:
233.3293
IUPAC Name:
(2R,5R)-2-(phenylsulfanylmethyl)-1-azabicyclo[3.2.0]heptan-7-one
InChI:
InChI=1S/C13H15NOS/c15-13-8-10-6-7-11(14(10)13)9-16-12-4-2-1-3-5-12/h1-5,10-11H,6-9H2/t10-,11-/m1/s1
InChI Key:
BKMUFIOCFQOPDT-GHMZBOCLSA-N
SMILES:
O=C1C[C@@H]2N1[C@H](CC2)CSc1ccccc1
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
233.087g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.329g/mol
Monoisotopic Mass:
233.087g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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