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Home Other Building Blocks 1-propyl-6-(trifluoromethyl)-1H-1,3-benzodiazole-2-thiol

1-propyl-6-(trifluoromethyl)-1H-1,3-benzodiazole-2-thiol

CAS No.:
746608-47-9
Catalog Number:
AG019JKF
Molecular Formula:
C11H11F3N2S
Molecular Weight:
260.2786
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Product Description
Catalog Number:
AG019JKF
Chemical Name:
1-propyl-6-(trifluoromethyl)-1H-1,3-benzodiazole-2-thiol
CAS Number:
746608-47-9
Molecular Formula:
C11H11F3N2S
Molecular Weight:
260.2786
MDL Number:
MFCD05273644
IUPAC Name:
3-propyl-5-(trifluoromethyl)-1H-benzimidazole-2-thione
InChI:
InChI=1S/C11H11F3N2S/c1-2-5-16-9-6-7(11(12,13)14)3-4-8(9)15-10(16)17/h3-4,6H,2,5H2,1H3,(H,15,17)
InChI Key:
WQJPVWAGTNRUIJ-UHFFFAOYSA-N
SMILES:
CCCn1c(S)nc2c1cc(cc2)C(F)(F)F
Properties
Complexity:
306  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.06g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
260.278g/mol
Monoisotopic Mass:
260.06g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties