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Home > Indoles and Oxindole > 88683-40-3
88683-40-3 | 1H-Isoindole-1,3(2H)-dione, 2-[(2-methylcyclohexyl)thio]-
CAS No: 88683-40-3 Catalog No: AG0047UX MDL No:
Product Description
Catalog Number:
AG0047UX
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[(2-methylcyclohexyl)thio]-
CAS Number:
88683-40-3
Molecular Formula:
C15H17NO2S
Molecular Weight:
275.3660
IUPAC Name:
2-(2-methylcyclohexyl)sulfanylisoindole-1,3-dione
InChI:
InChI=1S/C15H17NO2S/c1-10-6-2-5-9-13(10)19-16-14(17)11-7-3-4-8-12(11)15(16)18/h3-4,7-8,10,13H,2,5-6,9H2,1H3
InChI Key:
NVZDCHMDMDOHIV-UHFFFAOYSA-N
SMILES:
CC1CCCCC1SN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.098g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.366g/mol
Monoisotopic Mass:
275.098g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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