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Home > Fluorides > 917747-35-4
917747-35-4 | N-[4-(4-Fluoro-phenyl)-5-mercapto-4H-[1,2,4]triazol-3-ylmethyl]-methanesulfonamide
CAS No: 917747-35-4 Catalog No: AG01F3PP MDL No:
Product Description
Catalog Number:
AG01F3PP
Chemical Name:
N-[4-(4-Fluoro-phenyl)-5-mercapto-4H-[1,2,4]triazol-3-ylmethyl]-methanesulfonamide
CAS Number:
917747-35-4
Molecular Formula:
C10H11FN4O2S2
Molecular Weight:
302.3483
IUPAC Name:
N-[[4-(4-fluorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]methanesulfonamide
InChI:
InChI=1S/C10H11FN4O2S2/c1-19(16,17)12-6-9-13-14-10(18)15(9)8-4-2-7(11)3-5-8/h2-5,12H,6H2,1H3,(H,14,18)
InChI Key:
BPRQZZQEFUZVFG-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)n1c(S)nnc1CNS(=O)(=O)C
Properties
Complexity:
480
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.031g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
302.342g/mol
Monoisotopic Mass:
302.031g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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