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147951-24-4 | 1,2-Ethanedione, 1,2-bis(3-methyl-2-thienyl)-
CAS No: 147951-24-4 Catalog No: AG001FBC MDL No:MFCD03701313
Product Description
Catalog Number:
AG001FBC
Chemical Name:
1,2-Ethanedione, 1,2-bis(3-methyl-2-thienyl)-
CAS Number:
147951-24-4
Molecular Formula:
C12H10O2S2
Molecular Weight:
250.3366
MDL Number:
MFCD03701313
IUPAC Name:
1,2-bis(3-methylthiophen-2-yl)ethane-1,2-dione
InChI:
InChI=1S/C12H10O2S2/c1-7-3-5-15-11(7)9(13)10(14)12-8(2)4-6-16-12/h3-6H,1-2H3
InChI Key:
GCAXOUZIAQDEHD-UHFFFAOYSA-N
SMILES:
Cc1ccsc1C(=O)C(=O)c1sccc1C
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.012g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.33g/mol
Monoisotopic Mass:
250.012g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
90.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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