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18890-91-0 | 1H-Pyrrole-2,5-dione, 1-(phenylthio)-
CAS No: 18890-91-0 Catalog No: AG002HHB MDL No:
Product Description
Catalog Number:
AG002HHB
Chemical Name:
1H-Pyrrole-2,5-dione, 1-(phenylthio)-
CAS Number:
18890-91-0
Molecular Formula:
C10H7NO2S
Molecular Weight:
205.2331
IUPAC Name:
1-phenylsulfanylpyrrole-2,5-dione
InChI:
InChI=1S/C10H7NO2S/c12-9-6-7-10(13)11(9)14-8-4-2-1-3-5-8/h1-7H
InChI Key:
SNQDZVHQDVXJHD-UHFFFAOYSA-N
SMILES:
O=C1C=CC(=O)N1Sc1ccccc1
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.02g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.231g/mol
Monoisotopic Mass:
205.02g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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