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89863-29-6 | 1,5,12,16-Tetrathiacyclodocosane-6,11,17,22-tetrone
CAS No: 89863-29-6 Catalog No: AG003W31 MDL No:
Product Description
Catalog Number:
AG003W31
Chemical Name:
1,5,12,16-Tetrathiacyclodocosane-6,11,17,22-tetrone
CAS Number:
89863-29-6
Molecular Formula:
C18H28O4S4
Molecular Weight:
436.6725
IUPAC Name:
1,5,12,16-tetrathiacyclodocosane-6,11,17,22-tetrone
InChI:
InChI=1S/C18H28O4S4/c19-15-7-1-2-8-16(20)24-12-6-14-26-18(22)10-4-3-9-17(21)25-13-5-11-23-15/h1-14H2
InChI Key:
MZFXIUTUCWPLLE-UHFFFAOYSA-N
SMILES:
O=C1CCCCC(=O)SCCCSC(=O)CCCCC(=O)SCCCS1
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
436.087g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
436.658g/mol
Monoisotopic Mass:
436.087g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
170A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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