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13589-13-4 | 3-BENZYL-2,6-DIPHENYL-2H-THIOPYRAN-5-CARBALDEHYDE
CAS No: 13589-13-4 Catalog No: AG00A445 MDL No:MFCD01366867
Product Description
Catalog Number:
AG00A445
Chemical Name:
3-BENZYL-2,6-DIPHENYL-2H-THIOPYRAN-5-CARBALDEHYDE
CAS Number:
13589-13-4
Molecular Formula:
C25H20OS
Molecular Weight:
368.4907
MDL Number:
MFCD01366867
IUPAC Name:
3-benzyl-2,6-diphenyl-2H-thiopyran-5-carbaldehyde
InChI:
InChI=1S/C25H20OS/c26-18-23-17-22(16-19-10-4-1-5-11-19)24(20-12-6-2-7-13-20)27-25(23)21-14-8-3-9-15-21/h1-15,17-18,24H,16H2
InChI Key:
SFSKQPYRTXDREW-UHFFFAOYSA-N
SMILES:
O=CC1=C(SC(C(=C1)Cc1ccccc1)c1ccccc1)c1ccccc1
Properties
Complexity:
557
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.123g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
368.494g/mol
Monoisotopic Mass:
368.123g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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