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89335-26-2 | 4(5H)-Thiazolone, 5-(phenylmethylene)-2-(1,3,4-thiadiazol-2-ylamino)-
CAS No: 89335-26-2 Catalog No: AG003ZGG MDL No:
Product Description
Catalog Number:
AG003ZGG
Chemical Name:
4(5H)-Thiazolone, 5-(phenylmethylene)-2-(1,3,4-thiadiazol-2-ylamino)-
CAS Number:
89335-26-2
Molecular Formula:
C12H8N4OS2
Molecular Weight:
288.3481
IUPAC Name:
5-benzylidene-2-(1,3,4-thiadiazol-2-ylimino)-1,3-thiazolidin-4-one
InChI:
InChI=1S/C12H8N4OS2/c17-10-9(6-8-4-2-1-3-5-8)19-11(14-10)15-12-16-13-7-18-12/h1-7H,(H,14,15,16,17)
InChI Key:
QGAWQGBHSNDGSA-UHFFFAOYSA-N
SMILES:
O=C1N=C(SC1=Cc1ccccc1)Nc1nncs1
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.014g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
288.343g/mol
Monoisotopic Mass:
288.014g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
2.8
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