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1258651-53-4 | 1-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-3-yl]ethan-1-one
CAS No: 1258651-53-4 Catalog No: AG01AASR MDL No:MFCD17480416
Product Description
Catalog Number:
AG01AASR
Chemical Name:
1-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-3-yl]ethan-1-one
CAS Number:
1258651-53-4
Molecular Formula:
C10H9NOS2
Molecular Weight:
223.3146
MDL Number:
MFCD17480416
IUPAC Name:
1-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-3-yl]ethanone
InChI:
InChI=1S/C10H9NOS2/c1-6(12)8-3-10(14-4-8)9-5-13-7(2)11-9/h3-5H,1-2H3
InChI Key:
FZXISPBCPNJBJL-UHFFFAOYSA-N
SMILES:
Cc1scc(n1)c1scc(c1)C(=O)C
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.013g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.308g/mol
Monoisotopic Mass:
223.013g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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