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Home > Fluorides > 701920-69-6
701920-69-6 | 4-(trifluoromethyl)-6-phenylpyrimidine-2-thiol
CAS No: 701920-69-6 Catalog No: AG01EX10 MDL No:MFCD02854762
Product Description
Catalog Number:
AG01EX10
Chemical Name:
4-(trifluoromethyl)-6-phenylpyrimidine-2-thiol
CAS Number:
701920-69-6
Molecular Formula:
C11H7F3N2S
Molecular Weight:
256.2469
MDL Number:
MFCD02854762
IUPAC Name:
4-phenyl-6-(trifluoromethyl)-1H-pyrimidine-2-thione
InChI:
InChI=1S/C11H7F3N2S/c12-11(13,14)9-6-8(15-10(17)16-9)7-4-2-1-3-5-7/h1-6H,(H,15,16,17)
InChI Key:
RXCCJONRXYSWKR-UHFFFAOYSA-N
SMILES:
Sc1nc(cc(n1)c1ccccc1)C(F)(F)F
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.028g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.246g/mol
Monoisotopic Mass:
256.028g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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