1,2-dioxo-2-sulfinatooxyethanesulfinate

C2O7S2-2 — CID 57195718

IUPAC1,2-dioxo-2-sulfinatooxyethanesulfinate
SMILESO=C(OS(=O)[O-])C(=O)S(=O)[O-]
InChIInChI=1S/C2H2O7S2/c3-1(9-11(7)8)2(4)10(5)6/h(H,5,6)(H,7,8)/p-2
InChIKeyHMTOAKVGRGQBPN-UHFFFAOYSA-L
MW200.15 g/mol
LogP-2.27
Rot. Bonds1

About 1,2-dioxo-2-sulfinatooxyethanesulfinate

1,2-dioxo-2-sulfinatooxyethanesulfinate (PubChem CID 57195718) has the molecular formula C2O7S2-2 and a molecular weight of 200.15 g/mol. Its IUPAC name is 1,2-dioxo-2-sulfinatooxyethanesulfinate.

Molecular Properties

Compound Name1,2-dioxo-2-sulfinatooxyethanesulfinate
PubChem CID57195718
Molecular FormulaC2O7S2-2
Molecular Weight200.15 g/mol
Exact Mass199.91
IUPAC Name1,2-dioxo-2-sulfinatooxyethanesulfinate
SMILESO=C(OS(=O)[O-])C(=O)S(=O)[O-]
InChIInChI=1S/C2H2O7S2/c3-1(9-11(7)8)2(4)10(5)6/h(H,5,6)(H,7,8)/p-2
InChIKeyHMTOAKVGRGQBPN-UHFFFAOYSA-L
XLogP-2.27
TPSA123.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.15
LogP ≤ 5-2.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2-dioxo-2-sulfinatooxyethanesulfinate?
The IUPAC name of 1,2-dioxo-2-sulfinatooxyethanesulfinate (CID 57195718) is 1,2-dioxo-2-sulfinatooxyethanesulfinate.
What is the SMILES notation for 1,2-dioxo-2-sulfinatooxyethanesulfinate?
The canonical SMILES for 1,2-dioxo-2-sulfinatooxyethanesulfinate is O=C(OS(=O)[O-])C(=O)S(=O)[O-].
What is the InChIKey of 1,2-dioxo-2-sulfinatooxyethanesulfinate?
The InChIKey is HMTOAKVGRGQBPN-UHFFFAOYSA-L. The full InChI is InChI=1S/C2H2O7S2/c3-1(9-11(7)8)2(4)10(5)6/h(H,5,6)(H,7,8)/p-2.
What are the key properties of 1,2-dioxo-2-sulfinatooxyethanesulfinate?
1,2-dioxo-2-sulfinatooxyethanesulfinate has a molecular weight of 200.15 g/mol, XLogP of -2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dioxo-2-sulfinatooxyethanesulfinate is sourced from PubChem (CID 57195718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).