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14016-49-0 | 2-Thiazolidinone, 5-(phenylmethylene)-4-thioxo-
CAS No: 14016-49-0 Catalog No: AG0070DK MDL No:
Product Description
Catalog Number:
AG0070DK
Chemical Name:
2-Thiazolidinone, 5-(phenylmethylene)-4-thioxo-
CAS Number:
14016-49-0
Molecular Formula:
C10H7NOS2
Molecular Weight:
221.2987
IUPAC Name:
5-benzylidene-4-sulfanylidene-1,3-thiazolidin-2-one
InChI:
InChI=1S/C10H7NOS2/c12-10-11-9(13)8(14-10)6-7-4-2-1-3-5-7/h1-6H,(H,11,12,13)
InChI Key:
ZXBRLSSWWJQDPF-UHFFFAOYSA-N
SMILES:
S=C1NC(=O)SC1=Cc1ccccc1
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.997g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.292g/mol
Monoisotopic Mass:
220.997g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
86.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.8
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