2-sulfinooxyethyl hydrogen sulfite;sulfurous acid

C2H8O9S3 — CID 87077277

IUPAC2-sulfinooxyethyl hydrogen sulfite;sulfurous acid
SMILESO=S(O)O.O=S(O)OCCOS(=O)O
InChIInChI=1S/C2H6O6S2.H2O3S/c3-9(4)7-1-2-8-10(5)6;1-4(2)3/h1-2H2,(H,3,4)(H,5,6);(H2,1,2,3)
InChIKeyYSBCOKMJPPYNIE-UHFFFAOYSA-N
MW272.28 g/mol
LogP-1.03
Rot. Bonds5

About 2-sulfinooxyethyl hydrogen sulfite;sulfurous acid

2-sulfinooxyethyl hydrogen sulfite;sulfurous acid (PubChem CID 87077277) has the molecular formula C2H8O9S3 and a molecular weight of 272.28 g/mol. Its IUPAC name is 2-sulfinooxyethyl hydrogen sulfite;sulfurous acid.

Molecular Properties

Compound Name2-sulfinooxyethyl hydrogen sulfite;sulfurous acid
PubChem CID87077277
Molecular FormulaC2H8O9S3
Molecular Weight272.28 g/mol
Exact Mass271.93
IUPAC Name2-sulfinooxyethyl hydrogen sulfite;sulfurous acid
SMILESO=S(O)O.O=S(O)OCCOS(=O)O
InChIInChI=1S/C2H6O6S2.H2O3S/c3-9(4)7-1-2-8-10(5)6;1-4(2)3/h1-2H2,(H,3,4)(H,5,6);(H2,1,2,3)
InChIKeyYSBCOKMJPPYNIE-UHFFFAOYSA-N
XLogP-1.03
TPSA150.59 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 5-1.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-sulfinooxyethyl hydrogen sulfite;sulfurous acid?
The IUPAC name of 2-sulfinooxyethyl hydrogen sulfite;sulfurous acid (CID 87077277) is 2-sulfinooxyethyl hydrogen sulfite;sulfurous acid.
What is the SMILES notation for 2-sulfinooxyethyl hydrogen sulfite;sulfurous acid?
The canonical SMILES for 2-sulfinooxyethyl hydrogen sulfite;sulfurous acid is O=S(O)O.O=S(O)OCCOS(=O)O.
What is the InChIKey of 2-sulfinooxyethyl hydrogen sulfite;sulfurous acid?
The InChIKey is YSBCOKMJPPYNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O6S2.H2O3S/c3-9(4)7-1-2-8-10(5)6;1-4(2)3/h1-2H2,(H,3,4)(H,5,6);(H2,1,2,3).
What are the key properties of 2-sulfinooxyethyl hydrogen sulfite;sulfurous acid?
2-sulfinooxyethyl hydrogen sulfite;sulfurous acid has a molecular weight of 272.28 g/mol, XLogP of -1.03, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfinooxyethyl hydrogen sulfite;sulfurous acid is sourced from PubChem (CID 87077277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).