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116178-11-1 | 1,2,4-Triazine, 1,6-dihydro-3-(methylthio)-5,6-diphenyl-
CAS No: 116178-11-1 Catalog No: AG000BTP MDL No:
Product Description
Catalog Number:
AG000BTP
Chemical Name:
1,2,4-Triazine, 1,6-dihydro-3-(methylthio)-5,6-diphenyl-
CAS Number:
116178-11-1
Molecular Formula:
C16H15N3S
Molecular Weight:
281.3754
IUPAC Name:
3-methylsulfanyl-5,6-diphenyl-1,6-dihydro-1,2,4-triazine
InChI:
InChI=1S/C16H15N3S/c1-20-16-17-14(12-8-4-2-5-9-12)15(18-19-16)13-10-6-3-7-11-13/h2-11,15,18H,1H3
InChI Key:
XCSIIUJCQXCSCT-UHFFFAOYSA-N
SMILES:
CSC1=NNC(C(=N1)c1ccccc1)c1ccccc1
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.099g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
281.377g/mol
Monoisotopic Mass:
281.099g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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