2-sulfinooxyethyl hydrogen sulfite

C2H6O6S2 — CID 21115491

IUPAC2-sulfinooxyethyl hydrogen sulfite
SMILESO=S(O)OCCOS(=O)O
InChIInChI=1S/C2H6O6S2/c3-9(4)7-1-2-8-10(5)6/h1-2H2,(H,3,4)(H,5,6)
InChIKeyHGTOWSVKEZWDHO-UHFFFAOYSA-N
MW190.20 g/mol
LogP-0.71
Rot. Bonds5

About 2-sulfinooxyethyl hydrogen sulfite

2-sulfinooxyethyl hydrogen sulfite (PubChem CID 21115491) has the molecular formula C2H6O6S2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 2-sulfinooxyethyl hydrogen sulfite.

Molecular Properties

Compound Name2-sulfinooxyethyl hydrogen sulfite
PubChem CID21115491
Molecular FormulaC2H6O6S2
Molecular Weight190.20 g/mol
Exact Mass189.96
IUPAC Name2-sulfinooxyethyl hydrogen sulfite
SMILESO=S(O)OCCOS(=O)O
InChIInChI=1S/C2H6O6S2/c3-9(4)7-1-2-8-10(5)6/h1-2H2,(H,3,4)(H,5,6)
InChIKeyHGTOWSVKEZWDHO-UHFFFAOYSA-N
XLogP-0.71
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Sulfooxyethyl hydrogen sulfate
CID 9838251
2-Hydroperoxyethyl hydrogen sulfate
CID 19981139
Hydroxy-(2-hydroxysulfonothioyloxyethoxy)-oxo-sulfanylidene-lambda6-sulfane
CID 20162758
Sulfosulfonyloxyethane
CID 21219622
2-Sulfinatooxyethyl sulfite
CID 21649889
2-Sulfooxyethoxy hydrogen sulfate
CID 21849033
2-(Trihydroxy-lambda4-sulfanyl)oxyethyl hydrogen sulfate
CID 22962258
2-Hydroxysulfonothioyloxyethanol
CID 53691845
2-Sulfinooxyethyl hydrogen sulfite;sulfurous acid
CID 87077277
Ethyl hydrogen sulfate;sulfur dioxide
CID 87878952
Ethyl sulfo sulfate
CID 88295698
2-(Trioxidanylsulfanyloxy)ethyl hydrogen sulfate
CID 88931464

Frequently Asked Questions

What is the IUPAC name of 2-sulfinooxyethyl hydrogen sulfite?
The IUPAC name of 2-sulfinooxyethyl hydrogen sulfite (CID 21115491) is 2-sulfinooxyethyl hydrogen sulfite.
What is the SMILES notation for 2-sulfinooxyethyl hydrogen sulfite?
The canonical SMILES for 2-sulfinooxyethyl hydrogen sulfite is O=S(O)OCCOS(=O)O.
What is the InChIKey of 2-sulfinooxyethyl hydrogen sulfite?
The InChIKey is HGTOWSVKEZWDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O6S2/c3-9(4)7-1-2-8-10(5)6/h1-2H2,(H,3,4)(H,5,6).
What are the key properties of 2-sulfinooxyethyl hydrogen sulfite?
2-sulfinooxyethyl hydrogen sulfite has a molecular weight of 190.20 g/mol, XLogP of -0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfinooxyethyl hydrogen sulfite is sourced from PubChem (CID 21115491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).