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26413-19-4 | 1,3-Dithiolane, 1,1,3,3-tetraoxide
CAS No: 26413-19-4 Catalog No: AG002T4G MDL No:
Product Description
Catalog Number:
AG002T4G
Chemical Name:
1,3-Dithiolane, 1,1,3,3-tetraoxide
CAS Number:
26413-19-4
Molecular Formula:
C3H6O4S2
Molecular Weight:
170.2073
IUPAC Name:
1,3-dithiolane 1,1,3,3-tetraoxide
InChI:
InChI=1S/C3H6O4S2/c4-8(5)1-2-9(6,7)3-8/h1-3H2
InChI Key:
DQLOTKZORORBPO-UHFFFAOYSA-N
SMILES:
O=S1(=O)CCS(=O)(=O)C1
NSC Number:
227851
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.971g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.197g/mol
Monoisotopic Mass:
169.971g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
85A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2
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