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23517-81-9 | 4-Thiazolidinone, 5-butyl-3-(1-naphthalenyl)-2-thioxo-
CAS No: 23517-81-9 Catalog No: AG002NJC MDL No:
Product Description
Catalog Number:
AG002NJC
Chemical Name:
4-Thiazolidinone, 5-butyl-3-(1-naphthalenyl)-2-thioxo-
CAS Number:
23517-81-9
Molecular Formula:
C17H17NOS2
Molecular Weight:
315.4530
IUPAC Name:
5-butyl-3-naphthalen-1-yl-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C17H17NOS2/c1-2-3-11-15-16(19)18(17(20)21-15)14-10-6-8-12-7-4-5-9-13(12)14/h4-10,15H,2-3,11H2,1H3
InChI Key:
XLVKPLNMULVMOQ-UHFFFAOYSA-N
SMILES:
CCCCC1SC(=S)N(C1=O)c1cccc2c1cccc2
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.075g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.449g/mol
Monoisotopic Mass:
315.075g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
77.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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