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Home > Indoles and Oxindole > 101125-08-0
101125-08-0 | Spiro[1H-isoindole-1,2'-[2H]thiet]-3(2H)-one, 2-methyl-3',4'-diphenyl-
CAS No: 101125-08-0 Catalog No: AG0003RW MDL No:
Product Description
Catalog Number:
AG0003RW
Chemical Name:
Spiro[1H-isoindole-1,2'-[2H]thiet]-3(2H)-one, 2-methyl-3',4'-diphenyl-
CAS Number:
101125-08-0
Molecular Formula:
C23H17NOS
Molecular Weight:
355.4522
IUPAC Name:
2-methyl-3',4'-diphenylspiro[isoindole-3,2'-thiete]-1-one
InChI:
InChI=1S/C23H17NOS/c1-24-22(25)18-14-8-9-15-19(18)23(24)20(16-10-4-2-5-11-16)21(26-23)17-12-6-3-7-13-17/h2-15H,1H3
InChI Key:
DNKCLAGBOCHZAC-UHFFFAOYSA-N
SMILES:
O=C1c2ccccc2C2(N1C)SC(=C2c1ccccc1)c1ccccc1
Properties
Complexity:
601
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.103g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
355.455g/mol
Monoisotopic Mass:
355.103g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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