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114087-65-9 | 2,3-Pyridinediamine, 6-(methylthio)-5-(trifluoromethyl)-
CAS No: 114087-65-9 Catalog No: AG000AIT MDL No:
Product Description
Catalog Number:
AG000AIT
Chemical Name:
2,3-Pyridinediamine, 6-(methylthio)-5-(trifluoromethyl)-
CAS Number:
114087-65-9
Molecular Formula:
C7H8F3N3S
Molecular Weight:
223.2187
IUPAC Name:
6-methylsulfanyl-5-(trifluoromethyl)pyridine-2,3-diamine
InChI:
InChI=1S/C7H8F3N3S/c1-14-6-3(7(8,9)10)2-4(11)5(12)13-6/h2H,11H2,1H3,(H2,12,13)
InChI Key:
CCPAHHCUQVUFRX-UHFFFAOYSA-N
SMILES:
CSc1nc(N)c(cc1C(F)(F)F)N
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.039g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
223.217g/mol
Monoisotopic Mass:
223.039g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
90.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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