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23517-79-5 | 4-Thiazolidinone, 5-methyl-3-(1-naphthalenyl)-2-thioxo-
CAS No: 23517-79-5 Catalog No: AG002NJE MDL No:
Product Description
Catalog Number:
AG002NJE
Chemical Name:
4-Thiazolidinone, 5-methyl-3-(1-naphthalenyl)-2-thioxo-
CAS Number:
23517-79-5
Molecular Formula:
C14H11NOS2
Molecular Weight:
273.3732
IUPAC Name:
5-methyl-3-naphthalen-1-yl-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C14H11NOS2/c1-9-13(16)15(14(17)18-9)12-8-4-6-10-5-2-3-7-11(10)12/h2-9H,1H3
InChI Key:
HZRBSVWHHGYUAT-UHFFFAOYSA-N
SMILES:
S=C1SC(C(=O)N1c1cccc2c1cccc2)C
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.028g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.368g/mol
Monoisotopic Mass:
273.028g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
77.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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