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114514-78-2 | 4H-1,3,4-Thiadiazin-2-amine, 5,6-diphenyl-
CAS No: 114514-78-2 Catalog No: AG000EL9 MDL No:
Product Description
Catalog Number:
AG000EL9
Chemical Name:
4H-1,3,4-Thiadiazin-2-amine, 5,6-diphenyl-
CAS Number:
114514-78-2
Molecular Formula:
C15H13N3S
Molecular Weight:
267.3488
IUPAC Name:
5,6-diphenyl-4H-1,3,4-thiadiazin-2-amine
InChI:
InChI=1S/C15H13N3S/c16-15-18-17-13(11-7-3-1-4-8-11)14(19-15)12-9-5-2-6-10-12/h1-10,17H,(H2,16,18)
InChI Key:
XIBYYDNGCQQMTK-UHFFFAOYSA-N
SMILES:
NC1=NNC(=C(S1)c1ccccc1)c1ccccc1
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.083g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
267.35g/mol
Monoisotopic Mass:
267.083g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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