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89735-52-4 | 4-Thiazolidinone, 5-(2(3H)-benzoxazolylideneethylidene)-2-thioxo-
CAS No: 89735-52-4 Catalog No: AG00418E MDL No:
Product Description
Catalog Number:
AG00418E
Chemical Name:
4-Thiazolidinone, 5-(2(3H)-benzoxazolylideneethylidene)-2-thioxo-
CAS Number:
89735-52-4
Molecular Formula:
C12H8N2O2S2
Molecular Weight:
276.3341
IUPAC Name:
5-[2-(1,3-benzoxazol-2-yl)ethenyl]-4-hydroxy-3H-1,3-thiazole-2-thione
InChI:
InChI=1S/C12H8N2O2S2/c15-11-9(18-12(17)14-11)5-6-10-13-7-3-1-2-4-8(7)16-10/h1-6,15H,(H,14,17)
InChI Key:
RAYWTASEIANBQM-UHFFFAOYSA-N
SMILES:
S=C1NC(=O)C(=CC=c2oc3c([nH]2)cccc3)S1
Properties
Complexity:
422
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.003g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
276.328g/mol
Monoisotopic Mass:
276.003g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.9
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