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86106-16-3 | 5,5-dimethyl-3-(6-phenylhex-3-ynyl)thiazolidine-2,4-dione
CAS No: 86106-16-3 Catalog No: AG004TXK MDL No:
Product Description
Catalog Number:
AG004TXK
Chemical Name:
5,5-dimethyl-3-(6-phenylhex-3-ynyl)thiazolidine-2,4-dione
CAS Number:
86106-16-3
Molecular Formula:
C17H19NO2S
Molecular Weight:
301.4033
IUPAC Name:
5,5-dimethyl-3-(6-phenylhex-3-ynyl)-1,3-thiazolidine-2,4-dione
InChI:
InChI=1S/C17H19NO2S/c1-17(2)15(19)18(16(20)21-17)13-9-4-3-6-10-14-11-7-5-8-12-14/h5,7-8,11-12H,6,9-10,13H2,1-2H3
InChI Key:
URSQTZAJJKXECC-UHFFFAOYSA-N
SMILES:
O=C1SC(C(=O)N1CCC#CCCc1ccccc1)(C)C
NSC Number:
373551
Properties
Complexity:
466
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.114g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.404g/mol
Monoisotopic Mass:
301.114g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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