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Home > Other Heterocycles > 51030-34-3
51030-34-3 | 9-thia-3-azabicyclo[4.2.1]nonan-4-one
CAS No: 51030-34-3 Catalog No: AG01B7CM MDL No:MFCD24554301
Product Description
Catalog Number:
AG01B7CM
Chemical Name:
9-thia-3-azabicyclo[4.2.1]nonan-4-one
CAS Number:
51030-34-3
Molecular Formula:
C7H11NOS
Molecular Weight:
157.2333
MDL Number:
MFCD24554301
IUPAC Name:
9-thia-3-azabicyclo[4.2.1]nonan-4-one
InChI:
InChI=1S/C7H11NOS/c9-7-3-5-1-2-6(10-5)4-8-7/h5-6H,1-4H2,(H,8,9)
InChI Key:
NWIQYRZODMFCAC-UHFFFAOYSA-N
SMILES:
O=C1NCC2SC(C1)CC2
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.056g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
157.231g/mol
Monoisotopic Mass:
157.056g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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