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128250-45-3 | Ethanone, 2-(methylsulfonyl)-1-(2-thienyl)-
CAS No: 128250-45-3 Catalog No: AG000XWN MDL No:
Product Description
Catalog Number:
AG000XWN
Chemical Name:
Ethanone, 2-(methylsulfonyl)-1-(2-thienyl)-
CAS Number:
128250-45-3
Molecular Formula:
C7H8O3S2
Molecular Weight:
204.2666
IUPAC Name:
2-methylsulfonyl-1-thiophen-2-ylethanone
InChI:
InChI=1S/C7H8O3S2/c1-12(9,10)5-6(8)7-3-2-4-11-7/h2-4H,5H2,1H3
InChI Key:
JRRRKLUCOBIKHZ-UHFFFAOYSA-N
SMILES:
O=C(c1cccs1)CS(=O)(=O)C
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.991g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.258g/mol
Monoisotopic Mass:
203.991g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
87.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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