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162761-24-2 | 4H-Thiopyrano[3,4-b]pyrazin-3(5H)-one, 7,8-dihydro-2-phenyl-
CAS No: 162761-24-2 Catalog No: AG001TEX MDL No:
Product Description
Catalog Number:
AG001TEX
Chemical Name:
4H-Thiopyrano[3,4-b]pyrazin-3(5H)-one, 7,8-dihydro-2-phenyl-
CAS Number:
162761-24-2
Molecular Formula:
C13H12N2OS
Molecular Weight:
244.3122
IUPAC Name:
2-phenyl-4,5,7,8-tetrahydrothiopyrano[3,4-b]pyrazin-3-one
InChI:
InChI=1S/C13H12N2OS/c16-13-12(9-4-2-1-3-5-9)14-10-6-7-17-8-11(10)15-13/h1-5H,6-8H2,(H,15,16)
InChI Key:
LIJPHBKEPAHVFL-UHFFFAOYSA-N
SMILES:
O=c1[nH]c2CSCCc2nc1c1ccccc1
Properties
Complexity:
394
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.067g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.312g/mol
Monoisotopic Mass:
244.067g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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