Home Other Building Blocks 1-(4-fluorophenyl)-1H-1,3-benzodiazole-2-thiol

1-(4-fluorophenyl)-1H-1,3-benzodiazole-2-thiol

CAS No.:
1038333-46-8
Catalog Number:
AG019Y6X
Molecular Formula:
C13H9FN2S
Molecular Weight:
244.2874
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Product Description
Catalog Number:
AG019Y6X
Chemical Name:
1-(4-fluorophenyl)-1H-1,3-benzodiazole-2-thiol
CAS Number:
1038333-46-8
Molecular Formula:
C13H9FN2S
Molecular Weight:
244.2874
MDL Number:
MFCD11202249
IUPAC Name:
3-(4-fluorophenyl)-1H-benzimidazole-2-thione
InChI:
InChI=1S/C13H9FN2S/c14-9-5-7-10(8-6-9)16-12-4-2-1-3-11(12)15-13(16)17/h1-8H,(H,15,17)
InChI Key:
AJNDNJRXZKSEJY-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)n1c(S)nc2c1cccc2
Properties
Complexity:
302  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.047g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
244.287g/mol
Monoisotopic Mass:
244.047g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties