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89335-20-6 | 4(5H)-Thiazolone, 2-[[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]amino]-
CAS No: 89335-20-6 Catalog No: AG003ZEL MDL No:
Product Description
Catalog Number:
AG003ZEL
Chemical Name:
4(5H)-Thiazolone, 2-[[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]amino]-
CAS Number:
89335-20-6
Molecular Formula:
C11H7N5O3S2
Molecular Weight:
321.3350
IUPAC Name:
2-[[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]imino]-1,3-thiazolidin-4-one
InChI:
InChI=1S/C11H7N5O3S2/c17-8-5-20-10(12-8)13-11-15-14-9(21-11)6-1-3-7(4-2-6)16(18)19/h1-4H,5H2,(H,12,13,15,17)
InChI Key:
QKAQIKYPKLJTGG-UHFFFAOYSA-N
SMILES:
O=C1CSC(=N1)Nc1nnc(s1)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
461
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.999g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
321.329g/mol
Monoisotopic Mass:
320.999g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
167A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.2
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