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Home > Indoles and Oxindole > 88683-58-3
88683-58-3 | 1H-Isoindole-1,3(2H)-dione, 2-[(2-cyano-1-methylethyl)thio]-
CAS No: 88683-58-3 Catalog No: AG0047UU MDL No:
Product Description
Catalog Number:
AG0047UU
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[(2-cyano-1-methylethyl)thio]-
CAS Number:
88683-58-3
Molecular Formula:
C12H10N2O2S
Molecular Weight:
246.2850
IUPAC Name:
3-(1,3-dioxoisoindol-2-yl)sulfanylbutanenitrile
InChI:
InChI=1S/C12H10N2O2S/c1-8(6-7-13)17-14-11(15)9-4-2-3-5-10(9)12(14)16/h2-5,8H,6H2,1H3
InChI Key:
BLDXYQMPXBCOIV-UHFFFAOYSA-N
SMILES:
CC(CC#N)SN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.046g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.284g/mol
Monoisotopic Mass:
246.046g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
86.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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