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Home > Other Heterocycles > 280114-09-2
280114-09-2 | 6-thia-3-azabicyclo[3.2.1]octane
CAS No: 280114-09-2 Catalog No: AG01BBAY MDL No:MFCD28505937
Product Description
Catalog Number:
AG01BBAY
Chemical Name:
6-thia-3-azabicyclo[3.2.1]octane
CAS Number:
280114-09-2
Molecular Formula:
C6H11NS
Molecular Weight:
129.2232
MDL Number:
MFCD28505937
IUPAC Name:
6-thia-3-azabicyclo[3.2.1]octane
InChI:
InChI=1S/C6H11NS/c1-5-2-7-3-6(1)8-4-5/h5-7H,1-4H2
InChI Key:
PGJQHWLHYPRRCB-UHFFFAOYSA-N
SMILES:
N1CC2SCC(C1)C2
Properties
Complexity:
94.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
129.061g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
129.221g/mol
Monoisotopic Mass:
129.061g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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