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Home > Other Heterocycles > 15814-66-1
15814-66-1 | 1,4,8,11-Tetrathiadispiro[4.1.4.3]tetradecane, 13,13-dimethyl-, 1,1,4,4,8,8,11,11-octaoxide
CAS No: 15814-66-1 Catalog No: AG001Q06 MDL No:
Product Description
Catalog Number:
AG001Q06
Chemical Name:
1,4,8,11-Tetrathiadispiro[4.1.4.3]tetradecane, 13,13-dimethyl-, 1,1,4,4,8,8,11,11-octaoxide
CAS Number:
15814-66-1
Molecular Formula:
C12H20O8S4
Molecular Weight:
420.5424
IUPAC Name:
13,13-dimethyl-1λ6,4λ6,8λ6,11λ6-tetrathiadispiro[4.1.47.35]tetradecane 1,1,4,4,8,8,11,11-octaoxide
InChI:
InChI=1S/C12H20O8S4/c1-10(2)7-11(21(13,14)3-4-22(11,15)16)9-12(8-10)23(17,18)5-6-24(12,19)20/h3-9H2,1-2H3
InChI Key:
OYMULRJUZZIIOQ-UHFFFAOYSA-N
SMILES:
CC1(C)CC2(CC3(C1)S(=O)(=O)CCS3(=O)=O)S(=O)(=O)CCS2(=O)=O
NSC Number:
81763
Properties
Complexity:
841
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
420.004g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
420.524g/mol
Monoisotopic Mass:
420.004g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
170A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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