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Home > Indoles and Oxindole > 93360-86-2
93360-86-2 | 1H-Isoindole-1,3(2H)-dione, 2-dodecyl-4,5,6,7-tetrakis(phenylthio)-
CAS No: 93360-86-2 Catalog No: AG006GTA MDL No:
Product Description
Catalog Number:
AG006GTA
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-dodecyl-4,5,6,7-tetrakis(phenylthio)-
CAS Number:
93360-86-2
Molecular Formula:
C44H45NO2S4
Molecular Weight:
748.0936
IUPAC Name:
2-dodecyl-4,5,6,7-tetrakis(phenylsulfanyl)isoindole-1,3-dione
InChI:
InChI=1S/C44H45NO2S4/c1-2-3-4-5-6-7-8-9-10-23-32-45-43(46)37-38(44(45)47)40(49-34-26-17-12-18-27-34)42(51-36-30-21-14-22-31-36)41(50-35-28-19-13-20-29-35)39(37)48-33-24-15-11-16-25-33/h11-22,24-31H,2-10,23,32H2,1H3
InChI Key:
IRJZCALFDBHWND-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCN1C(=O)c2c(C1=O)c(Sc1ccccc1)c(c(c2Sc1ccccc1)Sc1ccccc1)Sc1ccccc1
Properties
Complexity:
951
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
747.233g/mol
Formal Charge:
0
Heavy Atom Count:
51
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
748.089g/mol
Monoisotopic Mass:
747.233g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
139A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
14.8
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