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117052-57-0 | 1H-Isoindol-1-imine, 5-(2,2-dimethylpropoxy)-3-(methylthio)-
CAS No: 117052-57-0 Catalog No: AG000DMG MDL No:
Product Description
Catalog Number:
AG000DMG
Chemical Name:
1H-Isoindol-1-imine, 5-(2,2-dimethylpropoxy)-3-(methylthio)-
CAS Number:
117052-57-0
Molecular Formula:
C14H18N2OS
Molecular Weight:
262.3705
IUPAC Name:
5-(2,2-dimethylpropoxy)-3-methylsulfanylisoindol-1-imine
InChI:
InChI=1S/C14H18N2OS/c1-14(2,3)8-17-9-5-6-10-11(7-9)13(18-4)16-12(10)15/h5-7,15H,8H2,1-4H3
InChI Key:
MTQIZMNRDBUECY-UHFFFAOYSA-N
SMILES:
CSC1=NC(=N)c2c1cc(OCC(C)(C)C)cc2
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.114g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.371g/mol
Monoisotopic Mass:
262.114g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
70.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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