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Home > Other Heterocycles > 1520084-21-2
1520084-21-2 | 3lambda6-thia-6-azabicyclo[3.1.1]heptane-3,3-dione
CAS No: 1520084-21-2 Catalog No: AG01B6Z0 MDL No:MFCD30344839
Product Description
Catalog Number:
AG01B6Z0
Chemical Name:
3lambda6-thia-6-azabicyclo[3.1.1]heptane-3,3-dione
CAS Number:
1520084-21-2
Molecular Formula:
C5H9NO2S
Molecular Weight:
147.1955
MDL Number:
MFCD30344839
IUPAC Name:
3λ6-thia-6-azabicyclo[3.1.1]heptane 3,3-dioxide
InChI:
InChI=1S/C5H9NO2S/c7-9(8)2-4-1-5(3-9)6-4/h4-6H,1-3H2
InChI Key:
NOWLHOWZVURXRU-UHFFFAOYSA-N
SMILES:
O=S1(=O)CC2CC(C1)N2
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.035g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
147.192g/mol
Monoisotopic Mass:
147.035g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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