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114808-90-1 | [1,2,4]Triazolo[1,5-a]pyrimidine-7-thiol, 5-(trifluoromethyl)-
CAS No: 114808-90-1 Catalog No: AG000F9Q MDL No:
Product Description
Catalog Number:
AG000F9Q
Chemical Name:
[1,2,4]Triazolo[1,5-a]pyrimidine-7-thiol, 5-(trifluoromethyl)-
CAS Number:
114808-90-1
Molecular Formula:
C6H3F3N4S
Molecular Weight:
220.1750
IUPAC Name:
5-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidine-7-thione
InChI:
InChI=1S/C6H3F3N4S/c7-6(8,9)3-1-4(14)13-5(12-3)10-2-11-13/h1-2H,(H,10,11,12)
InChI Key:
GVYVYQCPTOQYND-UHFFFAOYSA-N
SMILES:
Sc1cc(nc2n1ncn2)C(F)(F)F
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.003g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.173g/mol
Monoisotopic Mass:
220.003g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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