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56421-61-5 | 1-[4-METHYL-2-(2-THIENYL)-1,3-THIAZOL-5-YL]-1-ETHANONE
CAS No: 56421-61-5 Catalog No: AG00F02J MDL No:MFCD00112084
Product Description
Catalog Number:
AG00F02J
Chemical Name:
1-[4-METHYL-2-(2-THIENYL)-1,3-THIAZOL-5-YL]-1-ETHANONE
CAS Number:
56421-61-5
Molecular Formula:
C10H9NOS2
Molecular Weight:
223.3146
MDL Number:
MFCD00112084
IUPAC Name:
1-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)ethanone
InChI:
InChI=1S/C10H9NOS2/c1-6-9(7(2)12)14-10(11-6)8-4-3-5-13-8/h3-5H,1-2H3
InChI Key:
GRYWITIQEPSTMV-UHFFFAOYSA-N
SMILES:
CC(=O)c1sc(nc1C)c1cccs1
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:
2.7
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