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Home > Other Heterocycles > 88691-98-9
88691-98-9 | 1,3,6,9-Tetrathiaspiro[4.4]nonane-7,8-dione, 4,4-diphenyl-
CAS No: 88691-98-9 Catalog No: AG0047PF MDL No:
Product Description
Catalog Number:
AG0047PF
Chemical Name:
1,3,6,9-Tetrathiaspiro[4.4]nonane-7,8-dione, 4,4-diphenyl-
CAS Number:
88691-98-9
Molecular Formula:
C17H12O2S4
Molecular Weight:
376.5360
IUPAC Name:
9,9-diphenyl-1,4,6,8-tetrathiaspiro[4.4]nonane-2,3-dione
InChI:
InChI=1S/C17H12O2S4/c18-14-15(19)23-17(22-14)16(20-11-21-17,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,11H2
InChI Key:
CJYIBUWKDDUZSX-UHFFFAOYSA-N
SMILES:
O=C1SC2(SC1=O)SCSC2(c1ccccc1)c1ccccc1
Properties
Complexity:
461
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
375.972g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
376.521g/mol
Monoisotopic Mass:
375.972g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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