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89805-42-5 | 4H-1,3-Oxazin-4-one, 2-(1,3-dithiolan-2-ylideneamino)-6-phenyl-
CAS No: 89805-42-5 Catalog No: AG003Z09 MDL No:
Product Description
Catalog Number:
AG003Z09
Chemical Name:
4H-1,3-Oxazin-4-one, 2-(1,3-dithiolan-2-ylideneamino)-6-phenyl-
CAS Number:
89805-42-5
Molecular Formula:
C13H10N2O2S2
Molecular Weight:
290.3607
IUPAC Name:
2-(1,3-dithiolan-2-ylideneamino)-6-phenyl-1,3-oxazin-4-one
InChI:
InChI=1S/C13H10N2O2S2/c16-11-8-10(9-4-2-1-3-5-9)17-12(14-11)15-13-18-6-7-19-13/h1-5,8H,6-7H2
InChI Key:
VXCPPGODFSSJQF-UHFFFAOYSA-N
SMILES:
O=c1nc(N=C2SCCS2)oc(c1)c1ccccc1
Properties
Complexity:
457
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.018g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.355g/mol
Monoisotopic Mass:
290.018g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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