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Home > Other Heterocycles > 2101562-66-5
2101562-66-5 | 3lambda6-thia-8-azabicyclo[3.2.1]octane-3,3-dione hydrochloride
CAS No: 2101562-66-5 Catalog No: AG01EI1L MDL No:
Product Description
Catalog Number:
AG01EI1L
Chemical Name:
3lambda6-thia-8-azabicyclo[3.2.1]octane-3,3-dione hydrochloride
CAS Number:
2101562-66-5
Molecular Formula:
C6H12ClNO2S
Molecular Weight:
197.6830
IUPAC Name:
3λ6-thia-8-azabicyclo[3.2.1]octane 3,3-dioxide;hydrochloride
InChI:
InChI=1S/C6H11NO2S.ClH/c8-10(9)3-5-1-2-6(4-10)7-5;/h5-7H,1-4H2;1H
InChI Key:
YAWXCEJCYBWYKO-UHFFFAOYSA-N
SMILES:
O=S1(=O)CC2CCC(C1)N2.Cl
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.028g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
197.677g/mol
Monoisotopic Mass:
197.028g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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