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Home > Indoles and Oxindole > 72115-19-6
72115-19-6 | 1H-Isoindole-1,3(2H)-dione, 2-[2-[(2-furanylmethyl)thio]ethyl]-
CAS No: 72115-19-6 Catalog No: AG005K53 MDL No:
Product Description
Catalog Number:
AG005K53
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[2-[(2-furanylmethyl)thio]ethyl]-
CAS Number:
72115-19-6
Molecular Formula:
C15H13NO3S
Molecular Weight:
287.3336
IUPAC Name:
2-[2-(furan-2-ylmethylsulfanyl)ethyl]isoindole-1,3-dione
InChI:
InChI=1S/C15H13NO3S/c17-14-12-5-1-2-6-13(12)15(18)16(14)7-9-20-10-11-4-3-8-19-11/h1-6,8H,7,9-10H2
InChI Key:
ZZDILASZIABWOY-UHFFFAOYSA-N
SMILES:
O=C1N(CCSCc2ccco2)C(=O)c2c1cccc2
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.062g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.333g/mol
Monoisotopic Mass:
287.062g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
75.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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