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Home > Other Heterocycles > 6714-36-9
6714-36-9 | Spiro[cyclohexane-1,2'-[1,3]dithiolo[4,5-b]quinoxaline]-2,6-dione
CAS No: 6714-36-9 Catalog No: AG005QTR MDL No:
Product Description
Catalog Number:
AG005QTR
Chemical Name:
Spiro[cyclohexane-1,2'-[1,3]dithiolo[4,5-b]quinoxaline]-2,6-dione
CAS Number:
6714-36-9
Molecular Formula:
C14H10N2O2S2
Molecular Weight:
302.3714
IUPAC Name:
spiro[[1,3]dithiolo[4,5-b]quinoxaline-2,2'-cyclohexane]-1',3'-dione
InChI:
InChI=1S/C14H10N2O2S2/c17-10-6-3-7-11(18)14(10)19-12-13(20-14)16-9-5-2-1-4-8(9)15-12/h1-2,4-5H,3,6-7H2
InChI Key:
PFDQYBCUQMMQRH-UHFFFAOYSA-N
SMILES:
O=C1CCCC(=O)C21Sc1c(S2)nc2c(n1)cccc2
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.018g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.366g/mol
Monoisotopic Mass:
302.018g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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