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132808-73-2 | 2(1H)-Pyrimidinethione, 6-(2-furanyl)-5,6-dihydro-4-(4-methoxyphenyl)-
CAS No: 132808-73-2 Catalog No: AG00117U MDL No:
Product Description
Catalog Number:
AG00117U
Chemical Name:
2(1H)-Pyrimidinethione, 6-(2-furanyl)-5,6-dihydro-4-(4-methoxyphenyl)-
CAS Number:
132808-73-2
Molecular Formula:
C15H14N2O2S
Molecular Weight:
286.3489
IUPAC Name:
6-(furan-2-yl)-4-(4-methoxyphenyl)-5,6-dihydro-1H-pyrimidine-2-thione
InChI:
InChI=1S/C15H14N2O2S/c1-18-11-6-4-10(5-7-11)12-9-13(17-15(20)16-12)14-3-2-8-19-14/h2-8,13H,9H2,1H3,(H,17,20)
InChI Key:
FDLDPUMZNMAZCK-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C1=NC(=S)NC(C1)c1ccco1
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.078g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
286.349g/mol
Monoisotopic Mass:
286.078g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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