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141075-39-0

141075-39-0 | 1H-Pyrrole-2,3-dione, 5-(methylthio)-1-phenyl-

CAS No: 141075-39-0 Catalog No: AG001FUU MDL No:

Product Description

Catalog Number:
AG001FUU
Chemical Name:
1H-Pyrrole-2,3-dione, 5-(methylthio)-1-phenyl-
CAS Number:
141075-39-0
Molecular Formula:
C11H9NO2S
Molecular Weight:
219.2597
IUPAC Name:
5-methylsulfanyl-1-phenylpyrrole-2,3-dione
InChI:
InChI=1S/C11H9NO2S/c1-15-10-7-9(13)11(14)12(10)8-5-3-2-4-6-8/h2-7H,1H3
InChI Key:
CBYRWYUTCXXJRN-UHFFFAOYSA-N
SMILES:
CSC1=CC(=O)C(=O)N1c1ccccc1

Properties

Complexity:
319  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.035g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.258g/mol
Monoisotopic Mass:
219.035g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  

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