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82520-03-4 | 1H-Naphth[2,3-d]imidazole-4,9-dione, 2,3-dihydro-2-thioxo-
CAS No: 82520-03-4 Catalog No: AG0057O5 MDL No:
Product Description
Catalog Number:
AG0057O5
Chemical Name:
1H-Naphth[2,3-d]imidazole-4,9-dione, 2,3-dihydro-2-thioxo-
CAS Number:
82520-03-4
Molecular Formula:
C11H6N2O2S
Molecular Weight:
230.2425
IUPAC Name:
2-sulfanylidene-1,3-dihydrobenzo[f]benzimidazole-4,9-dione
InChI:
InChI=1S/C11H6N2O2S/c14-9-5-3-1-2-4-6(5)10(15)8-7(9)12-11(16)13-8/h1-4H,(H2,12,13,16)
InChI Key:
FKHPYDQHQWOSTL-UHFFFAOYSA-N
SMILES:
S=c1[nH]c2c([nH]1)c(=O)c1c(c2=O)cccc1
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.015g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
230.241g/mol
Monoisotopic Mass:
230.015g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
90.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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