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141075-38-9 | 1H-Pyrrole-2,3-dione, 1-methyl-5-(methylthio)-
CAS No: 141075-38-9 Catalog No: AG001FUV MDL No:MFCD24696812
Product Description
Catalog Number:
AG001FUV
Chemical Name:
1H-Pyrrole-2,3-dione, 1-methyl-5-(methylthio)-
CAS Number:
141075-38-9
Molecular Formula:
C6H7NO2S
Molecular Weight:
157.1903
MDL Number:
MFCD24696812
IUPAC Name:
1-methyl-5-methylsulfanylpyrrole-2,3-dione
InChI:
InChI=1S/C6H7NO2S/c1-7-5(10-2)3-4(8)6(7)9/h3H,1-2H3
InChI Key:
NXRRQARNGWJASU-UHFFFAOYSA-N
SMILES:
CSC1=CC(=O)C(=O)N1C
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.02g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
157.187g/mol
Monoisotopic Mass:
157.02g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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