ethane;ethenyl hydrogen sulfate;sulfuric acid

C4H12O8S2 — CID 175600765

IUPACethane;ethenyl hydrogen sulfate;sulfuric acid
SMILESC=COS(=O)(=O)O.CC.O=S(=O)(O)O
InChIInChI=1S/C2H4O4S.C2H6.H2O4S/c1-2-6-7(3,4)5;1-2;1-5(2,3)4/h2H,1H2,(H,3,4,5);1-2H3;(H2,1,2,3,4)
InChIKeyVMOMTKAOSFXANN-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.32
Rot. Bonds2

About ethane;ethenyl hydrogen sulfate;sulfuric acid

ethane;ethenyl hydrogen sulfate;sulfuric acid (PubChem CID 175600765) has the molecular formula C4H12O8S2 and a molecular weight of 252.27 g/mol. Its IUPAC name is ethane;ethenyl hydrogen sulfate;sulfuric acid.

Molecular Properties

Compound Nameethane;ethenyl hydrogen sulfate;sulfuric acid
PubChem CID175600765
Molecular FormulaC4H12O8S2
Molecular Weight252.27 g/mol
Exact Mass252.00
IUPAC Nameethane;ethenyl hydrogen sulfate;sulfuric acid
SMILESC=COS(=O)(=O)O.CC.O=S(=O)(O)O
InChIInChI=1S/C2H4O4S.C2H6.H2O4S/c1-2-6-7(3,4)5;1-2;1-5(2,3)4/h2H,1H2,(H,3,4,5);1-2H3;(H2,1,2,3,4)
InChIKeyVMOMTKAOSFXANN-UHFFFAOYSA-N
XLogP0.32
TPSA138.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethane;ethenyl hydrogen sulfate;sulfuric acid?
The IUPAC name of ethane;ethenyl hydrogen sulfate;sulfuric acid (CID 175600765) is ethane;ethenyl hydrogen sulfate;sulfuric acid.
What is the SMILES notation for ethane;ethenyl hydrogen sulfate;sulfuric acid?
The canonical SMILES for ethane;ethenyl hydrogen sulfate;sulfuric acid is C=COS(=O)(=O)O.CC.O=S(=O)(O)O.
What is the InChIKey of ethane;ethenyl hydrogen sulfate;sulfuric acid?
The InChIKey is VMOMTKAOSFXANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O4S.C2H6.H2O4S/c1-2-6-7(3,4)5;1-2;1-5(2,3)4/h2H,1H2,(H,3,4,5);1-2H3;(H2,1,2,3,4).
What are the key properties of ethane;ethenyl hydrogen sulfate;sulfuric acid?
ethane;ethenyl hydrogen sulfate;sulfuric acid has a molecular weight of 252.27 g/mol, XLogP of 0.32, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethenyl hydrogen sulfate;sulfuric acid is sourced from PubChem (CID 175600765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).