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Home > Nitro Compounds > 295361-40-9
295361-40-9 | 2(1H)-Pyrimidinethione, 3,4-dihydro-4-(4-nitrophenyl)-6-phenyl-
CAS No: 295361-40-9 Catalog No: AG002YO8 MDL No:
Product Description
Catalog Number:
AG002YO8
Chemical Name:
2(1H)-Pyrimidinethione, 3,4-dihydro-4-(4-nitrophenyl)-6-phenyl-
CAS Number:
295361-40-9
Molecular Formula:
C16H13N3O2S
Molecular Weight:
311.3583
IUPAC Name:
4-(4-nitrophenyl)-6-phenyl-3,4-dihydro-1H-pyrimidine-2-thione
InChI:
InChI=1S/C16H13N3O2S/c20-19(21)13-8-6-12(7-9-13)15-10-14(17-16(22)18-15)11-4-2-1-3-5-11/h1-10,15H,(H2,17,18,22)
InChI Key:
UZJJBUBSMPBHPM-UHFFFAOYSA-N
SMILES:
S=C1NC(C=C(N1)c1ccccc1)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
461
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.073g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
311.359g/mol
Monoisotopic Mass:
311.073g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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