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849066-64-4 | Ethanone,1-(2'-methyl[2,4'-bithiazol]-4-yl)-
CAS No: 849066-64-4 Catalog No: AG008FS4 MDL No:MFCD00278592
Product Description
Catalog Number:
AG008FS4
Chemical Name:
Ethanone,1-(2'-methyl[2,4'-bithiazol]-4-yl)-
CAS Number:
849066-64-4
Molecular Formula:
C9H8N2OS2
Molecular Weight:
224.3026
MDL Number:
MFCD00278592
IUPAC Name:
1-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]ethanone
InChI:
InChI=1S/C9H8N2OS2/c1-5(12)7-3-14-9(11-7)8-4-13-6(2)10-8/h3-4H,1-2H3
InChI Key:
DYZFPIQKTUEXNE-UHFFFAOYSA-N
SMILES:
Cc1scc(n1)c1scc(n1)C(=O)C
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.008g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.296g/mol
Monoisotopic Mass:
224.008g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
99.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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