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79250-30-9 | 3-Isothiazolidinone, 2-(1,1-dimethylethyl)-4,4-diphenyl-
CAS No: 79250-30-9 Catalog No: AG005L9H MDL No:
Product Description
Catalog Number:
AG005L9H
Chemical Name:
3-Isothiazolidinone, 2-(1,1-dimethylethyl)-4,4-diphenyl-
CAS Number:
79250-30-9
Molecular Formula:
C19H21NOS
Molecular Weight:
311.4411
IUPAC Name:
2-tert-butyl-4,4-diphenyl-1,2-thiazolidin-3-one
InChI:
InChI=1S/C19H21NOS/c1-18(2,3)20-17(21)19(14-22-20,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13H,14H2,1-3H3
InChI Key:
KOGUEQGHOWHTSV-UHFFFAOYSA-N
SMILES:
CC(N1SCC(C1=O)(c1ccccc1)c1ccccc1)(C)C
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.134g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.443g/mol
Monoisotopic Mass:
311.134g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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