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Home > Indoles and Oxindole > 116186-35-7
116186-35-7 | 1H-Isoindole-1,3(2H)-dione, 2-(methyldithio)-
CAS No: 116186-35-7 Catalog No: AG000BUF MDL No:
Product Description
Catalog Number:
AG000BUF
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-(methyldithio)-
CAS Number:
116186-35-7
Molecular Formula:
C9H7NO2S2
Molecular Weight:
225.2874
IUPAC Name:
2-(methyldisulfanyl)isoindole-1,3-dione
InChI:
InChI=1S/C9H7NO2S2/c1-13-14-10-8(11)6-4-2-3-5-7(6)9(10)12/h2-5H,1H3
InChI Key:
HNKMNKKHTHQWGM-UHFFFAOYSA-N
SMILES:
CSSN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.992g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.28g/mol
Monoisotopic Mass:
224.992g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
88A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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