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Home > Other Heterocycles > 1706457-47-7
1706457-47-7 | 3-[(4-methylpyrimidin-2-yl)sulfanyl]-8-azabicyclo[3.2.1]octane
CAS No: 1706457-47-7 Catalog No: AG01APEK MDL No:MFCD29034688
Product Description
Catalog Number:
AG01APEK
Chemical Name:
3-[(4-methylpyrimidin-2-yl)sulfanyl]-8-azabicyclo[3.2.1]octane
CAS Number:
1706457-47-7
MDL Number:
MFCD29034688
IUPAC Name:
3-(4-methylpyrimidin-2-yl)sulfanyl-8-azabicyclo[3.2.1]octane
InChI:
InChI=1S/C12H17N3S/c1-8-4-5-13-12(14-8)16-11-6-9-2-3-10(7-11)15-9/h4-5,9-11,15H,2-3,6-7H2,1H3
InChI Key:
SKPAQGSPHRGUHC-UHFFFAOYSA-N
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.114g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.349g/mol
Monoisotopic Mass:
235.114g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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