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141945-00-8 | Ethanone, 2-hydroxy-1,2-bis(5-methyl-2-thienyl)-
CAS No: 141945-00-8 Catalog No: AG001HFI MDL No:
Product Description
Catalog Number:
AG001HFI
Chemical Name:
Ethanone, 2-hydroxy-1,2-bis(5-methyl-2-thienyl)-
CAS Number:
141945-00-8
Molecular Formula:
C12H12O2S2
Molecular Weight:
252.3525
IUPAC Name:
2-hydroxy-1,2-bis(5-methylthiophen-2-yl)ethanone
InChI:
InChI=1S/C12H12O2S2/c1-7-3-5-9(15-7)11(13)12(14)10-6-4-8(2)16-10/h3-6,11,13H,1-2H3
InChI Key:
RTOQLZZDJZBWBZ-UHFFFAOYSA-N
SMILES:
Cc1ccc(s1)C(=O)C(c1ccc(s1)C)O
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.028g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.346g/mol
Monoisotopic Mass:
252.028g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
93.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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