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Home > Other Heterocycles > 1909301-38-7
1909301-38-7 | (1S,4S)-2lambda4-thia-5-azabicyclo[2.2.1]heptan-2-one hydrochloride
CAS No: 1909301-38-7 Catalog No: AG01C5E9 MDL No:MFCD29763391
Product Description
Catalog Number:
AG01C5E9
Chemical Name:
(1S,4S)-2lambda4-thia-5-azabicyclo[2.2.1]heptan-2-one hydrochloride
CAS Number:
1909301-38-7
Molecular Formula:
C5H10ClNOS
Molecular Weight:
167.6570
MDL Number:
MFCD29763391
IUPAC Name:
(1R,4R)-2λ4-thia-5-azabicyclo[2.2.1]heptane 2-oxide;hydrochloride
InChI:
InChI=1S/C5H9NOS.ClH/c7-8-3-4-1-5(8)2-6-4;/h4-6H,1-3H2;1H/t4-,5-,8?;/m1./s1
InChI Key:
JBCMWVOOFXBLKR-FZEUOFCDSA-N
SMILES:
O=S1C[C@@H]2C[C@H]1CN2.Cl
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
167.017g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
167.651g/mol
Monoisotopic Mass:
167.017g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
48.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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