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113638-05-4 | 1,3-Dithiolane, 4,4,5,5-tetrakis(4-methylphenyl)-
CAS No: 113638-05-4 Catalog No: AG00096L MDL No:
Product Description
Catalog Number:
AG00096L
Chemical Name:
1,3-Dithiolane, 4,4,5,5-tetrakis(4-methylphenyl)-
CAS Number:
113638-05-4
Molecular Formula:
C31H30S2
Molecular Weight:
466.6999
IUPAC Name:
4,4,5,5-tetrakis(4-methylphenyl)-1,3-dithiolane
InChI:
InChI=1S/C31H30S2/c1-22-5-13-26(14-6-22)30(27-15-7-23(2)8-16-27)31(33-21-32-30,28-17-9-24(3)10-18-28)29-19-11-25(4)12-20-29/h5-20H,21H2,1-4H3
InChI Key:
QGYXVNNWKCIUPR-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C1(SCSC1(c1ccc(cc1)C)c1ccc(cc1)C)c1ccc(cc1)C
Properties
Complexity:
513
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
466.179g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
466.701g/mol
Monoisotopic Mass:
466.179g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.9
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