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Home > Other Heterocycles > 291514-10-8
291514-10-8 | 2-Thia-1-azabicyclo[4.1.0]heptane, 2,2-dioxide
CAS No: 291514-10-8 Catalog No: AG002XHZ MDL No:
Product Description
Catalog Number:
AG002XHZ
Chemical Name:
2-Thia-1-azabicyclo[4.1.0]heptane, 2,2-dioxide
CAS Number:
291514-10-8
Molecular Formula:
C5H9NO2S
Molecular Weight:
147.1955
IUPAC Name:
2λ6-thia-1-azabicyclo[4.1.0]heptane 2,2-dioxide
InChI:
InChI=1S/C5H9NO2S/c7-9(8)3-1-2-5-4-6(5)9/h5H,1-4H2
InChI Key:
UJIRYFAYMGRRTB-UHFFFAOYSA-N
SMILES:
O=S1(=O)CCCC2N1C2
Properties
Complexity:
216
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:
0
Isotope Atom Count:
0
Molecular Weight:
147.192g/mol
Monoisotopic Mass:
147.035g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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