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139118-22-2 | 2H-Thiopyran, 2,3,4,6-tetraphenyl-
CAS No: 139118-22-2 Catalog No: AG001ABW MDL No:
Product Description
Catalog Number:
AG001ABW
Chemical Name:
2H-Thiopyran, 2,3,4,6-tetraphenyl-
CAS Number:
139118-22-2
Molecular Formula:
C29H22S
Molecular Weight:
402.5500
IUPAC Name:
2,3,4,6-tetraphenyl-2H-thiopyran
InChI:
InChI=1S/C29H22S/c1-5-13-22(14-6-1)26-21-27(23-15-7-2-8-16-23)30-29(25-19-11-4-12-20-25)28(26)24-17-9-3-10-18-24/h1-21,29H
InChI Key:
WZWKUECPHPUWBU-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C1=CC(=C(C(S1)c1ccccc1)c1ccccc1)c1ccccc1
Properties
Complexity:
604
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
402.144g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
402.555g/mol
Monoisotopic Mass:
402.144g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
7.4
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