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Home > Fluorides > 608491-88-9
608491-88-9 | 4-(Trifluoromethyl)-1,2-dihydro-2-thioxo-6-p-tolylpyridine-3-carbonitrile
CAS No: 608491-88-9 Catalog No: AG01EWMU MDL No:MFCD03730887
Product Description
Catalog Number:
AG01EWMU
Chemical Name:
4-(Trifluoromethyl)-1,2-dihydro-2-thioxo-6-p-tolylpyridine-3-carbonitrile
CAS Number:
608491-88-9
Molecular Formula:
C14H9F3N2S
Molecular Weight:
294.2949
MDL Number:
MFCD03730887
IUPAC Name:
6-(4-methylphenyl)-2-sulfanylidene-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
InChI:
InChI=1S/C14H9F3N2S/c1-8-2-4-9(5-3-8)12-6-11(14(15,16)17)10(7-18)13(20)19-12/h2-6H,1H3,(H,19,20)
InChI Key:
WQSMPHBDPYFKLB-UHFFFAOYSA-N
SMILES:
N#CC1C(=S)N=C(C=C1C(F)(F)F)c1ccc(cc1)C
Properties
Complexity:
528
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.044g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
294.295g/mol
Monoisotopic Mass:
294.044g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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