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823191-73-7 | [1,1'-Biphenyl]-3-thiol, 2',6-diiodo-2,4,4',6'-tetramethyl-
CAS No: 823191-73-7 Catalog No: AG004ZC5 MDL No:
Product Description
Catalog Number:
AG004ZC5
Chemical Name:
[1,1'-Biphenyl]-3-thiol, 2',6-diiodo-2,4,4',6'-tetramethyl-
CAS Number:
823191-73-7
Molecular Formula:
C16H16I2S
Molecular Weight:
494.1722
IUPAC Name:
4-iodo-3-(2-iodo-4,6-dimethylphenyl)-2,6-dimethylbenzenethiol
InChI:
InChI=1S/C16H16I2S/c1-8-5-9(2)14(12(17)6-8)15-11(4)16(19)10(3)7-13(15)18/h5-7,19H,1-4H3
InChI Key:
PGICJUUCVBHSHO-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c(c(c1)I)c1c(I)cc(c(c1C)S)C
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
493.906g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
494.173g/mol
Monoisotopic Mass:
493.906g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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