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Home > Indoles and Oxindole > 14204-26-3
14204-26-3 | 1H-Isoindole-1,3(2H)-dione, 2-[(phenylmethyl)thio]-
CAS No: 14204-26-3 Catalog No: AG001HM6 MDL No:MFCD00158844
Product Description
Catalog Number:
AG001HM6
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[(phenylmethyl)thio]-
CAS Number:
14204-26-3
Molecular Formula:
C15H11NO2S
Molecular Weight:
269.3183
MDL Number:
MFCD00158844
IUPAC Name:
2-benzylsulfanylisoindole-1,3-dione
InChI:
InChI=1S/C15H11NO2S/c17-14-12-8-4-5-9-13(12)15(18)16(14)19-10-11-6-2-1-3-7-11/h1-9H,10H2
InChI Key:
XOAUPDRAKPXFQO-UHFFFAOYSA-N
SMILES:
O=C1N(SCc2ccccc2)C(=O)c2c1cccc2
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.051g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.318g/mol
Monoisotopic Mass:
269.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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