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125659-27-0 | 1,4-Dithiane, 2,3-bis(methylene)-, 1,1,4,4-tetraoxide
CAS No: 125659-27-0 Catalog No: AG000OAT MDL No:
Product Description
Catalog Number:
AG000OAT
Chemical Name:
1,4-Dithiane, 2,3-bis(methylene)-, 1,1,4,4-tetraoxide
CAS Number:
125659-27-0
Molecular Formula:
C6H8O4S2
Molecular Weight:
208.2553
IUPAC Name:
2,3-dimethylidene-1,4-dithiane 1,1,4,4-tetraoxide
InChI:
InChI=1S/C6H8O4S2/c1-5-6(2)12(9,10)4-3-11(5,7)8/h1-4H2
InChI Key:
UPESUSHMKAFOEB-UHFFFAOYSA-N
SMILES:
C=C1C(=C)S(=O)(=O)CCS1(=O)=O
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.986g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.246g/mol
Monoisotopic Mass:
207.986g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
85A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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