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823191-72-6 | [1,1'-Biphenyl]-3,3'-dithiol, 6,6'-diiodo-2,2',4,4'-tetramethyl-
CAS No: 823191-72-6 Catalog No: AG005523 MDL No:
Product Description
Catalog Number:
AG005523
Chemical Name:
[1,1'-Biphenyl]-3,3'-dithiol, 6,6'-diiodo-2,2',4,4'-tetramethyl-
CAS Number:
823191-72-6
Molecular Formula:
C16H16I2S2
Molecular Weight:
526.2372
IUPAC Name:
4-iodo-3-(6-iodo-2,4-dimethyl-3-sulfanylphenyl)-2,6-dimethylbenzenethiol
InChI:
InChI=1S/C16H16I2S2/c1-7-5-11(17)13(9(3)15(7)19)14-10(4)16(20)8(2)6-12(14)18/h5-6,19-20H,1-4H3
InChI Key:
BZDJSJINRONDJS-UHFFFAOYSA-N
SMILES:
Ic1cc(C)c(c(c1c1c(I)cc(c(c1C)S)C)C)S
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
525.878g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
526.233g/mol
Monoisotopic Mass:
525.878g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
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