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17452-18-5 | 2H-Imidazole-2-thione, 1,3-dihydro-1-[4-(trifluoromethyl)phenyl]-
CAS No: 17452-18-5 Catalog No: AG001ZQS MDL No:MFCD00060485
Product Description
Catalog Number:
AG001ZQS
Chemical Name:
2H-Imidazole-2-thione, 1,3-dihydro-1-[4-(trifluoromethyl)phenyl]-
CAS Number:
17452-18-5
Molecular Formula:
C10H7F3N2S
Molecular Weight:
244.2362
MDL Number:
MFCD00060485
IUPAC Name:
3-[4-(trifluoromethyl)phenyl]-1H-imidazole-2-thione
InChI:
InChI=1S/C10H7F3N2S/c11-10(12,13)7-1-3-8(4-2-7)15-6-5-14-9(15)16/h1-6H,(H,14,16)
InChI Key:
GEUKXLKPQGIDDE-UHFFFAOYSA-N
SMILES:
FC(c1ccc(cc1)n1cc[nH]c1=S)(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:
244.028g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.235g/mol
Monoisotopic Mass:
244.028g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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