barium(2+);hydride;1,2,4,3-trioxathiane 3,3-dioxide

C2H6BaO5S — CID 174863022

IUPACbarium(2+);hydride;1,2,4,3-trioxathiane 3,3-dioxide
SMILESO=S1(=O)OCCOO1.[Ba+2].[H-].[H-]
InChIInChI=1S/C2H4O5S.Ba.2H/c3-8(4)6-2-1-5-7-8;;;/h1-2H2;;;/q;+2;2*-1
InChIKeyQVFUAYGVRHRGJI-UHFFFAOYSA-N
MW279.46 g/mol
LogP-0.95
Rot. Bonds

About barium(2+);hydride;1,2,4,3-trioxathiane 3,3-dioxide

barium(2+);hydride;1,2,4,3-trioxathiane 3,3-dioxide (PubChem CID 174863022) has the molecular formula C2H6BaO5S and a molecular weight of 279.46 g/mol. Its IUPAC name is barium(2+);hydride;1,2,4,3-trioxathiane 3,3-dioxide.

Molecular Properties

Compound Namebarium(2+);hydride;1,2,4,3-trioxathiane 3,3-dioxide
PubChem CID174863022
Molecular FormulaC2H6BaO5S
Molecular Weight279.46 g/mol
Exact Mass279.90
IUPAC Namebarium(2+);hydride;1,2,4,3-trioxathiane 3,3-dioxide
SMILESO=S1(=O)OCCOO1.[Ba+2].[H-].[H-]
InChIInChI=1S/C2H4O5S.Ba.2H/c3-8(4)6-2-1-5-7-8;;;/h1-2H2;;;/q;+2;2*-1
InChIKeyQVFUAYGVRHRGJI-UHFFFAOYSA-N
XLogP-0.95
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.46
LogP ≤ 5-0.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of barium(2+);hydride;1,2,4,3-trioxathiane 3,3-dioxide?
The IUPAC name of barium(2+);hydride;1,2,4,3-trioxathiane 3,3-dioxide (CID 174863022) is barium(2+);hydride;1,2,4,3-trioxathiane 3,3-dioxide.
What is the SMILES notation for barium(2+);hydride;1,2,4,3-trioxathiane 3,3-dioxide?
The canonical SMILES for barium(2+);hydride;1,2,4,3-trioxathiane 3,3-dioxide is O=S1(=O)OCCOO1.[Ba+2].[H-].[H-].
What is the InChIKey of barium(2+);hydride;1,2,4,3-trioxathiane 3,3-dioxide?
The InChIKey is QVFUAYGVRHRGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O5S.Ba.2H/c3-8(4)6-2-1-5-7-8;;;/h1-2H2;;;/q;+2;2*-1.
What are the key properties of barium(2+);hydride;1,2,4,3-trioxathiane 3,3-dioxide?
barium(2+);hydride;1,2,4,3-trioxathiane 3,3-dioxide has a molecular weight of 279.46 g/mol, XLogP of -0.95, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for barium(2+);hydride;1,2,4,3-trioxathiane 3,3-dioxide is sourced from PubChem (CID 174863022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).