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88559-30-2 | 2H-Thiopyran, 2-methoxy-4-(4-methylphenyl)-2,6-diphenyl-
CAS No: 88559-30-2 Catalog No: AG004CAI MDL No:
Product Description
Catalog Number:
AG004CAI
Chemical Name:
2H-Thiopyran, 2-methoxy-4-(4-methylphenyl)-2,6-diphenyl-
CAS Number:
88559-30-2
Molecular Formula:
C25H22OS
Molecular Weight:
370.5066
IUPAC Name:
2-methoxy-4-(4-methylphenyl)-2,6-diphenylthiopyran
InChI:
InChI=1S/C25H22OS/c1-19-13-15-20(16-14-19)22-17-24(21-9-5-3-6-10-21)27-25(18-22,26-2)23-11-7-4-8-12-23/h3-18H,1-2H3
InChI Key:
YQCXUXUVEWUOLZ-UHFFFAOYSA-N
SMILES:
COC1(C=C(C=C(S1)c1ccccc1)c1ccc(cc1)C)c1ccccc1
Properties
Complexity:
545
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
370.139g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
370.51g/mol
Monoisotopic Mass:
370.139g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
34.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
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