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402520-53-0 | 4,6-Bis(trifluoromethyl)-2(1H)-pyrimidinethione
CAS No: 402520-53-0 Catalog No: AG01FH07 MDL No:
Product Description
Catalog Number:
AG01FH07
Chemical Name:
4,6-Bis(trifluoromethyl)-2(1H)-pyrimidinethione
CAS Number:
402520-53-0
IUPAC Name:
4,6-bis(trifluoromethyl)-1H-pyrimidine-2-thione
InChI:
InChI=1S/C6H2F6N2S/c7-5(8,9)2-1-3(6(10,11)12)14-4(15)13-2/h1H,(H,13,14,15)
InChI Key:
PLBRVCYOZLTRFL-UHFFFAOYSA-N
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.984g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.146g/mol
Monoisotopic Mass:
247.984g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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