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Home > Indoles and Oxindole > 418772-01-7
418772-01-7 | 1H-Indole-2,3-dione, 5-(methylthio)-
CAS No: 418772-01-7 Catalog No: AG0074ZG MDL No:
Product Description
Catalog Number:
AG0074ZG
Chemical Name:
1H-Indole-2,3-dione, 5-(methylthio)-
CAS Number:
418772-01-7
Molecular Formula:
C9H7NO2S
Molecular Weight:
193.2224
IUPAC Name:
5-methylsulfanyl-1H-indole-2,3-dione
InChI:
InChI=1S/C9H7NO2S/c1-13-5-2-3-7-6(4-5)8(11)9(12)10-7/h2-4H,1H3,(H,10,11,12)
InChI Key:
QXXPJYJSTKYYTB-UHFFFAOYSA-N
SMILES:
CSc1ccc2c(c1)C(=O)C(=O)N2
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.02g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
193.22g/mol
Monoisotopic Mass:
193.02g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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