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Home > Indoles and Oxindole > 138163-22-1
138163-22-1 | 3H-Pyrrolo[2,1-a]isoindole-2,5-dione, 3-(1-methylethyl)-1-(methylthio)-
CAS No: 138163-22-1 Catalog No: AG00183D MDL No:
Product Description
Catalog Number:
AG00183D
Chemical Name:
3H-Pyrrolo[2,1-a]isoindole-2,5-dione, 3-(1-methylethyl)-1-(methylthio)-
CAS Number:
138163-22-1
Molecular Formula:
C15H15NO2S
Molecular Weight:
273.3501
IUPAC Name:
1-methylsulfanyl-3-propan-2-yl-3H-pyrrolo[1,2-b]isoindole-2,5-dione
InChI:
InChI=1S/C15H15NO2S/c1-8(2)11-13(17)14(19-3)12-9-6-4-5-7-10(9)15(18)16(11)12/h4-8,11H,1-3H3
InChI Key:
BIIUPHRBVFVDJC-UHFFFAOYSA-N
SMILES:
CSC1=C2N(C(C1=O)C(C)C)C(=O)c1c2cccc1
Properties
Complexity:
469
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.082g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.35g/mol
Monoisotopic Mass:
273.082g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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