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89335-15-9 | 4(5H)-Thiazolone, 2-(1,3,4-thiadiazol-2-ylamino)-
CAS No: 89335-15-9 Catalog No: AG003ZEM MDL No:
Product Description
Catalog Number:
AG003ZEM
Chemical Name:
4(5H)-Thiazolone, 2-(1,3,4-thiadiazol-2-ylamino)-
CAS Number:
89335-15-9
Molecular Formula:
C5H4N4OS2
Molecular Weight:
200.2415
IUPAC Name:
2-(1,3,4-thiadiazol-2-ylimino)-1,3-thiazolidin-4-one
InChI:
InChI=1S/C5H4N4OS2/c10-3-1-11-4(7-3)8-5-9-6-2-12-5/h2H,1H2,(H,7,8,9,10)
InChI Key:
DIIASBYTQXSRON-UHFFFAOYSA-N
SMILES:
C1SC(=NC1=O)Nc1nncs1
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.983g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
200.234g/mol
Monoisotopic Mass:
199.983g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.7
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