Home Other Building Blocks 3-methyl-3-(thiophen-3-yl)pyrrolidine-2,5-dione

3-methyl-3-(thiophen-3-yl)pyrrolidine-2,5-dione

CAS No.:
1247829-97-5
Catalog Number:
AG019YSW
Molecular Formula:
C9H9NO2S
Molecular Weight:
195.2383
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Product Description
Catalog Number:
AG019YSW
Chemical Name:
3-methyl-3-(thiophen-3-yl)pyrrolidine-2,5-dione
CAS Number:
1247829-97-5
Molecular Formula:
C9H9NO2S
Molecular Weight:
195.2383
MDL Number:
MFCD16671401
IUPAC Name:
3-methyl-3-thiophen-3-ylpyrrolidine-2,5-dione
InChI:
InChI=1S/C9H9NO2S/c1-9(6-2-3-13-5-6)4-7(11)10-8(9)12/h2-3,5H,4H2,1H3,(H,10,11,12)
InChI Key:
HEVKOJSKGLAFLE-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)C(C1)(C)c1cscc1
Properties
Complexity:
266  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.035g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
195.236g/mol
Monoisotopic Mass:
195.035g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
74.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties