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89450-26-0 | 4-Nonenedinitrile, 2,2,8,8-tetrakis(ethylthio)-4-formyl-
CAS No: 89450-26-0 Catalog No: AG0042VZ MDL No:
Product Description
Catalog Number:
AG0042VZ
Chemical Name:
4-Nonenedinitrile, 2,2,8,8-tetrakis(ethylthio)-4-formyl-
CAS Number:
89450-26-0
Molecular Formula:
C18H28N2OS4
Molecular Weight:
416.6877
IUPAC Name:
2,2,8,8-tetrakis(ethylsulfanyl)-4-formylnon-4-enedinitrile
InChI:
InChI=1S/C18H28N2OS4/c1-5-22-17(14-19,23-6-2)11-9-10-16(13-21)12-18(15-20,24-7-3)25-8-4/h10,13H,5-9,11-12H2,1-4H3
InChI Key:
MJYFZYRXVOCQJB-UHFFFAOYSA-N
SMILES:
CCSC(CCC=C(CC(SCC)(SCC)C#N)C=O)(SCC)C#N
Properties
Complexity:
518
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
416.108g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
416.675g/mol
Monoisotopic Mass:
416.108g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
166A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.6
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