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Home > Other Heterocycles > 158568-64-0
158568-64-0 | 1-Azabicyclo[2.2.2]octan-3-ol, 3-(mercaptomethyl)-, (S)- (9CI)
CAS No: 158568-64-0 Catalog No: AG001QB8 MDL No:MFCD23135380
Product Description
Catalog Number:
AG001QB8
Chemical Name:
1-Azabicyclo[2.2.2]octan-3-ol, 3-(mercaptomethyl)-, (S)- (9CI)
CAS Number:
158568-64-0
Molecular Formula:
C8H15NOS
Molecular Weight:
173.2758
MDL Number:
MFCD23135380
IUPAC Name:
(3S)-3-(sulfanylmethyl)-1-azabicyclo[2.2.2]octan-3-ol
InChI:
InChI=1S/C8H15NOS/c10-8(6-11)5-9-3-1-7(8)2-4-9/h7,10-11H,1-6H2/t8-/m0/s1
InChI Key:
OBEOJOQKVZXCRH-QMMMGPOBSA-N
SMILES:
SC[C@@]1(O)CN2CCC1CC2
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
173.087g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
173.274g/mol
Monoisotopic Mass:
173.087g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
24.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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