Home Other Building Blocks 1H-Pyrazol-5-amine, 3-[3-[(trifluoromethyl)thio]phenyl]-

1H-Pyrazol-5-amine, 3-[3-[(trifluoromethyl)thio]phenyl]-

CAS No.:
1912400-29-3
Catalog Number:
AG002F4L
Molecular Formula:
C10H8F3N3S
Molecular Weight:
259.2508
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Product Description
Catalog Number:
AG002F4L
Chemical Name:
1H-Pyrazol-5-amine, 3-[3-[(trifluoromethyl)thio]phenyl]-
CAS Number:
1912400-29-3
Molecular Formula:
C10H8F3N3S
Molecular Weight:
259.2508
MDL Number:
MFCD24539382
IUPAC Name:
5-[3-(trifluoromethylsulfanyl)phenyl]-1H-pyrazol-3-amine
InChI:
InChI=1S/C10H8F3N3S/c11-10(12,13)17-7-3-1-2-6(4-7)8-5-9(14)16-15-8/h1-5H,(H3,14,15,16)
InChI Key:
CKLJHTSLMLGPRT-UHFFFAOYSA-N
SMILES:
Nc1[nH]nc(c1)c1cccc(c1)SC(F)(F)F
Properties
Complexity:
262  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.039g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
259.25g/mol
Monoisotopic Mass:
259.039g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
80A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties