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Home > Other Heterocycles > 1955541-29-3
1955541-29-3 | 2-thia-5-azabicyclo[4.2.0]octane
CAS No: 1955541-29-3 Catalog No: AG01B6AS MDL No:MFCD30181336
Product Description
Catalog Number:
AG01B6AS
Chemical Name:
2-thia-5-azabicyclo[4.2.0]octane
CAS Number:
1955541-29-3
Molecular Formula:
C6H11NS
Molecular Weight:
129.2232
MDL Number:
MFCD30181336
IUPAC Name:
2-thia-5-azabicyclo[4.2.0]octane
InChI:
InChI=1S/C6H11NS/c1-2-6-5(1)7-3-4-8-6/h5-7H,1-4H2
InChI Key:
NGCCODDSSJRODG-UHFFFAOYSA-N
SMILES:
C1CSC2C(N1)CC2
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:
0.8
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