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178875-14-4 | Thiophene, 2,5-dimethyl-3,4-bis(phenylmethyl)-, 1-oxide
CAS No: 178875-14-4 Catalog No: AG0026G4 MDL No:
Product Description
Catalog Number:
AG0026G4
Chemical Name:
Thiophene, 2,5-dimethyl-3,4-bis(phenylmethyl)-, 1-oxide
CAS Number:
178875-14-4
Molecular Formula:
C20H20OS
Molecular Weight:
308.4372
IUPAC Name:
3,4-dibenzyl-2,5-dimethylthiophene 1-oxide
InChI:
InChI=1S/C20H20OS/c1-15-19(13-17-9-5-3-6-10-17)20(16(2)22(15)21)14-18-11-7-4-8-12-18/h3-12H,13-14H2,1-2H3
InChI Key:
WYGKLUBPLMTKQG-UHFFFAOYSA-N
SMILES:
Cc1c(Cc2ccccc2)c(c(s1=O)C)Cc1ccccc1
NSC Number:
708876
Properties
Complexity:
444
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.123g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.439g/mol
Monoisotopic Mass:
308.123g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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