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5061-42-7 | 5-(4-Pyridylmethylene)-2-thioxothiazolidin-4-one
CAS No: 5061-42-7 Catalog No: AG00E0GZ MDL No:
Product Description
Catalog Number:
AG00E0GZ
Chemical Name:
5-(4-Pyridylmethylene)-2-thioxothiazolidin-4-one
CAS Number:
5061-42-7
IUPAC Name:
(5Z)-5-(pyridin-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C9H6N2OS2/c12-8-7(14-9(13)11-8)5-6-1-3-10-4-2-6/h1-5H,(H,11,12,13)/b7-5-
InChI Key:
KNTSNHQKRQFSSZ-ALCCZGGFSA-N
NSC Number:
409055
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
221.992g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.28g/mol
Monoisotopic Mass:
221.992g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
99.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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