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16896-28-9 | Benzo[g]pteridin-4(1H)-one, 2,3-dihydro-2-thioxo-
CAS No: 16896-28-9 Catalog No: AG001YE5 MDL No:
Product Description
Catalog Number:
AG001YE5
Chemical Name:
Benzo[g]pteridin-4(1H)-one, 2,3-dihydro-2-thioxo-
CAS Number:
16896-28-9
Molecular Formula:
C10H6N4OS
Molecular Weight:
230.2458
IUPAC Name:
2-sulfanylidene-1H-benzo[g]pteridin-4-one
InChI:
InChI=1S/C10H6N4OS/c15-9-7-8(13-10(16)14-9)12-6-4-2-1-3-5(6)11-7/h1-4H,(H2,12,13,14,15,16)
InChI Key:
PFCVCRZFSMPCKA-UHFFFAOYSA-N
SMILES:
S=c1[nH]c2nc3ccccc3nc2c(=O)[nH]1
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.026g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
230.245g/mol
Monoisotopic Mass:
230.026g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
99A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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