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Home > Other Heterocycles > 189184-08-5
189184-08-5 | 1-Azabicyclo[2.2.2]octan-3-ol, 3-[4-(butylthio)-1,2,5-thiadiazol-3-yl]-
CAS No: 189184-08-5 Catalog No: AG002I12 MDL No:
Product Description
Catalog Number:
AG002I12
Chemical Name:
1-Azabicyclo[2.2.2]octan-3-ol, 3-[4-(butylthio)-1,2,5-thiadiazol-3-yl]-
CAS Number:
189184-08-5
Molecular Formula:
C13H21N3OS2
Molecular Weight:
299.4553
IUPAC Name:
3-(4-butylsulfanyl-1,2,5-thiadiazol-3-yl)-1-azabicyclo[2.2.2]octan-3-ol
InChI:
InChI=1S/C13H21N3OS2/c1-2-3-8-18-12-11(14-19-15-12)13(17)9-16-6-4-10(13)5-7-16/h10,17H,2-9H2,1H3
InChI Key:
ZXNMDYMZNJMEGK-UHFFFAOYSA-N
SMILES:
CCCCSc1nsnc1C1(O)CN2CCC1CC2
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.113g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
299.451g/mol
Monoisotopic Mass:
299.113g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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