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189037-21-6

189037-21-6 | 5,7-Diazaspiro[3.5]nonane-6-thione, 8-hydroxy-8-(trifluoromethyl)-

CAS No: 189037-21-6 Catalog No: AG002HR6 MDL No:

Product Description

Catalog Number:
AG002HR6
Chemical Name:
5,7-Diazaspiro[3.5]nonane-6-thione, 8-hydroxy-8-(trifluoromethyl)-
CAS Number:
189037-21-6
Molecular Formula:
C8H11F3N2OS
Molecular Weight:
240.2459
IUPAC Name:
8-hydroxy-8-(trifluoromethyl)-5,7-diazaspiro[3.5]nonane-6-thione
InChI:
InChI=1S/C8H11F3N2OS/c9-8(10,11)7(14)4-6(2-1-3-6)12-5(15)13-7/h14H,1-4H2,(H2,12,13,15)
InChI Key:
AOKPMVHJIYSFDW-UHFFFAOYSA-N
SMILES:
S=C1NC2(CCC2)CC(N1)(O)C(F)(F)F

Properties

Complexity:
303  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.054g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
240.244g/mol
Monoisotopic Mass:
240.054g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
76.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  

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