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128881-69-6 | 1,3-Dithiole, 2-(1,3-dithiol-2-ylidene)-4-(octadecylthio)-
CAS No: 128881-69-6 Catalog No: AG000YGR MDL No:
Product Description
Catalog Number:
AG000YGR
Chemical Name:
1,3-Dithiole, 2-(1,3-dithiol-2-ylidene)-4-(octadecylthio)-
CAS Number:
128881-69-6
Molecular Formula:
C24H40S5
Molecular Weight:
488.8994
IUPAC Name:
2-(1,3-dithiol-2-ylidene)-4-octadecylsulfanyl-1,3-dithiole
InChI:
InChI=1S/C24H40S5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25-22-21-28-24(29-22)23-26-19-20-27-23/h19-21H,2-18H2,1H3
InChI Key:
QZRVZXQTKJXGQY-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCSC1=CSC(=C2SC=CS2)S1
Properties
Complexity:
499
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
488.173g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
488.884g/mol
Monoisotopic Mass:
488.173g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
12.1
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