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87973-73-7 | 4(1H)-Pyrimidinone, tetrahydro-6-methyl-1-(1-naphthalenyl)-2-thioxo-
CAS No: 87973-73-7 Catalog No: AG004PAX MDL No:
Product Description
Catalog Number:
AG004PAX
Chemical Name:
4(1H)-Pyrimidinone, tetrahydro-6-methyl-1-(1-naphthalenyl)-2-thioxo-
CAS Number:
87973-73-7
Molecular Formula:
C15H14N2OS
Molecular Weight:
270.3495
IUPAC Name:
6-methyl-1-naphthalen-1-yl-2-sulfanylidene-1,3-diazinan-4-one
InChI:
InChI=1S/C15H14N2OS/c1-10-9-14(18)16-15(19)17(10)13-8-4-6-11-5-2-3-7-12(11)13/h2-8,10H,9H2,1H3,(H,16,18,19)
InChI Key:
WHQJCAUZTDWBDV-UHFFFAOYSA-N
SMILES:
O=C1CC(C)N(C(=S)N1)c1cccc2c1cccc2
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.083g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
270.35g/mol
Monoisotopic Mass:
270.083g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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