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Home > Other Heterocycles > 2044712-80-1
2044712-80-1 | 9lambda4-thia-3-azabicyclo[4.2.1]nonan-9-one
CAS No: 2044712-80-1 Catalog No: AG01BVMW MDL No:MFCD30476478
Product Description
Catalog Number:
AG01BVMW
Chemical Name:
9lambda4-thia-3-azabicyclo[4.2.1]nonan-9-one
CAS Number:
2044712-80-1
Molecular Formula:
C7H13NOS
Molecular Weight:
159.2492
MDL Number:
MFCD30476478
IUPAC Name:
9λ4-thia-3-azabicyclo[4.2.1]nonane 9-oxide
InChI:
InChI=1S/C7H13NOS/c9-10-6-1-2-7(10)5-8-4-3-6/h6-8H,1-5H2
InChI Key:
MWAIPLRRKNQNJW-UHFFFAOYSA-N
SMILES:
O=S1C2CCNCC1CC2
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.072g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
159.247g/mol
Monoisotopic Mass:
159.072g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
48.3A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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