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128881-57-2 | 1-Octadecanone, 1-[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]-
CAS No: 128881-57-2 Catalog No: AG000YGS MDL No:
Product Description
Catalog Number:
AG000YGS
Chemical Name:
1-Octadecanone, 1-[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]-
CAS Number:
128881-57-2
Molecular Formula:
C24H38OS4
Molecular Weight:
470.8179
IUPAC Name:
1-[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]octadecan-1-one
InChI:
InChI=1S/C24H38OS4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(25)22-20-28-24(29-22)23-26-18-19-27-23/h18-20H,2-17H2,1H3
InChI Key:
HELIRQPRIJYZAL-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCC(=O)C1=CSC(=C2SC=CS2)S1
Properties
Complexity:
555
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
470.181g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
470.807g/mol
Monoisotopic Mass:
470.181g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.8
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