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Home > Indoles and Oxindole > 893736-20-4
893736-20-4 | 5-[4-(Methylsulfanyl)phenyl]-1H-indole-2,3-dione
CAS No: 893736-20-4 Catalog No: AG01EYML MDL No:
Product Description
Catalog Number:
AG01EYML
Chemical Name:
5-[4-(Methylsulfanyl)phenyl]-1H-indole-2,3-dione
CAS Number:
893736-20-4
Molecular Formula:
C15H11NO2S
Molecular Weight:
269.3183
IUPAC Name:
5-(4-methylsulfanylphenyl)-1H-indole-2,3-dione
InChI:
InChI=1S/C15H11NO2S/c1-19-11-5-2-9(3-6-11)10-4-7-13-12(8-10)14(17)15(18)16-13/h2-8H,1H3,(H,16,17,18)
InChI Key:
UVJIBTZZNDLXNG-UHFFFAOYSA-N
SMILES:
CSc1ccc(cc1)c1ccc2c(c1)C(=O)C(=O)N2
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.051g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
269.318g/mol
Monoisotopic Mass:
269.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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