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114197-31-8 | 4(3H)-Pyrimidinethione, 2,6-diphenyl-
CAS No: 114197-31-8 Catalog No: AG000ARM MDL No:
Product Description
Catalog Number:
AG000ARM
Chemical Name:
4(3H)-Pyrimidinethione, 2,6-diphenyl-
CAS Number:
114197-31-8
Molecular Formula:
C16H12N2S
Molecular Weight:
264.3449
IUPAC Name:
2,6-diphenyl-1H-pyrimidine-4-thione
InChI:
InChI=1S/C16H12N2S/c19-15-11-14(12-7-3-1-4-8-12)17-16(18-15)13-9-5-2-6-10-13/h1-11H,(H,17,18,19)
InChI Key:
XJQVEQKYEQGFCX-UHFFFAOYSA-N
SMILES:
S=c1cc(nc([nH]1)c1ccccc1)c1ccccc1
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.072g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
264.346g/mol
Monoisotopic Mass:
264.072g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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