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191467-49-9

191467-49-9 | 1-Azabicyclo[2.2.2]octane, 3-[[4-(pentylthio)-1,2,5-thiadiazol-3-yl]oxy]-

CAS No: 191467-49-9 Catalog No: AG002F8N MDL No:

Product Description

Catalog Number:
AG002F8N
Chemical Name:
1-Azabicyclo[2.2.2]octane, 3-[[4-(pentylthio)-1,2,5-thiadiazol-3-yl]oxy]-
CAS Number:
191467-49-9
Molecular Formula:
C14H23N3OS2
Molecular Weight:
313.4819
IUPAC Name:
3-(1-azabicyclo[2.2.2]octan-3-yloxy)-4-pentylsulfanyl-1,2,5-thiadiazole
InChI:
InChI=1S/C14H23N3OS2/c1-2-3-4-9-19-14-13(15-20-16-14)18-12-10-17-7-5-11(12)6-8-17/h11-12H,2-10H2,1H3
InChI Key:
SNXKDZFMTKWNNU-UHFFFAOYSA-N
SMILES:
CCCCCSc1nsnc1OC1CN2CCC1CC2

Properties

Complexity:
300  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.128g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.478g/mol
Monoisotopic Mass:
313.128g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  

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