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125292-92-4 | 2,4,5,7,9-Pentathiadecane, 2,2,9,9-tetraoxide
CAS No: 125292-92-4 Catalog No: AG000NG5 MDL No:
Product Description
Catalog Number:
AG000NG5
Chemical Name:
2,4,5,7,9-Pentathiadecane, 2,2,9,9-tetraoxide
CAS Number:
125292-92-4
Molecular Formula:
C5H12O4S5
Molecular Weight:
296.4714
IUPAC Name:
(methylsulfonylmethyldisulfanyl)-(methylsulfonylmethylsulfanyl)methane
InChI:
InChI=1S/C5H12O4S5/c1-13(6,7)4-10-3-11-12-5-14(2,8)9/h3-5H2,1-2H3
InChI Key:
QIPXXEUDYHUIPF-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)CSSCSCS(=O)(=O)C
NSC Number:
649609
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.934g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.447g/mol
Monoisotopic Mass:
295.934g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
161A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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