5-(naphthalen-1-ylmethylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione


Chemical Name: 5-(naphthalen-1-ylmethylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione
CAS Number: 143034-06-4
Product Number: AG00A1H0(AGN-PC-0JV1X9)
Synonyms:
MDL No: MFCD00118077
Molecular Formula: C15H10N2O2S
Molecular Weight: 282.3171

Identification/Properties


Computed Properties
Molecular Weight:
282.317g/mol
XLogP3:
2.8
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
282.046g/mol
Monoisotopic Mass:
282.046g/mol
Topological Polar Surface Area:
90.3A^2
Heavy Atom Count:
20
Formal Charge:
0
Complexity:
464
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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