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648449-81-4 | 4-Thiazolidinone, 5-(6-quinolinylmethylene)-2-thioxo-
CAS No: 648449-81-4 Catalog No: AG006SIM MDL No:
Product Description
Catalog Number:
AG006SIM
Chemical Name:
4-Thiazolidinone, 5-(6-quinolinylmethylene)-2-thioxo-
CAS Number:
648449-81-4
Molecular Formula:
C13H8N2OS2
Molecular Weight:
272.3454
IUPAC Name:
5-(quinolin-6-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C13H8N2OS2/c16-12-11(18-13(17)15-12)7-8-3-4-10-9(6-8)2-1-5-14-10/h1-7H,(H,15,16,17)
InChI Key:
ZFGAUFCQRUSRCF-UHFFFAOYSA-N
SMILES:
S=C1NC(=O)C(=Cc2ccc3c(c2)cccn3)S1
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.008g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
272.34g/mol
Monoisotopic Mass:
272.008g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
99.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.1
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