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Home > Other Heterocycles > 79999-64-7
79999-64-7 | Spiro[1,3-dithiolane-4,9'-[9H]xanthene], 5,5-diphenyl-
CAS No: 79999-64-7 Catalog No: AG005PVH MDL No:
Product Description
Catalog Number:
AG005PVH
Chemical Name:
Spiro[1,3-dithiolane-4,9'-[9H]xanthene], 5,5-diphenyl-
CAS Number:
79999-64-7
Molecular Formula:
C27H20OS2
Molecular Weight:
424.5771
IUPAC Name:
5,5-diphenylspiro[1,3-dithiolane-4,9'-xanthene]
InChI:
InChI=1S/C27H20OS2/c1-3-11-20(12-4-1)26(21-13-5-2-6-14-21)27(30-19-29-26)22-15-7-9-17-24(22)28-25-18-10-8-16-23(25)27/h1-18H,19H2
InChI Key:
GUKAUDCPGYEPAK-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C1(SCSC21c1ccccc1Oc1c2cccc1)c1ccccc1
Properties
Complexity:
554
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
424.096g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
424.576g/mol
Monoisotopic Mass:
424.096g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7
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