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Home > Fluorides > 1303993-89-6
1303993-89-6 | 4-(2-Methyl-3-trifluoromethylphenyl)-thiosemicarbazide
CAS No: 1303993-89-6 Catalog No: AG01F7Y9 MDL No:MFCD18379872
Product Description
Catalog Number:
AG01F7Y9
Chemical Name:
4-(2-Methyl-3-trifluoromethylphenyl)-thiosemicarbazide
CAS Number:
1303993-89-6
Molecular Formula:
C9H10F3N3S
Molecular Weight:
249.2560
MDL Number:
MFCD18379872
IUPAC Name:
1-amino-3-[2-methyl-3-(trifluoromethyl)phenyl]thiourea
InChI:
InChI=1S/C9H10F3N3S/c1-5-6(9(10,11)12)3-2-4-7(5)14-8(16)15-13/h2-4H,13H2,1H3,(H2,14,15,16)
InChI Key:
GIXNXPJVHQUPFQ-UHFFFAOYSA-N
SMILES:
NNC(=S)Nc1cccc(c1C)C(F)(F)F
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.055g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
249.255g/mol
Monoisotopic Mass:
249.055g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
82.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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