ethane;sulfuric acid

C8H28O8S2 — CID 174865721

IUPACethane;sulfuric acid
SMILESCC.CC.CC.CC.O=S(=O)(O)O.O=S(=O)(O)O
InChIInChI=1S/4C2H6.2H2O4S/c4*1-2;2*1-5(2,3)4/h4*1-2H3;2*(H2,1,2,3,4)
InChIKeyHPTOSPNYMKUYEM-UHFFFAOYSA-N
MW316.44 g/mol
LogP2.80
Rot. Bonds

About ethane;sulfuric acid

ethane;sulfuric acid (PubChem CID 174865721) has the molecular formula C8H28O8S2 and a molecular weight of 316.44 g/mol. Its IUPAC name is ethane;sulfuric acid.

Molecular Properties

Compound Nameethane;sulfuric acid
PubChem CID174865721
Molecular FormulaC8H28O8S2
Molecular Weight316.44 g/mol
Exact Mass316.12
IUPAC Nameethane;sulfuric acid
SMILESCC.CC.CC.CC.O=S(=O)(O)O.O=S(=O)(O)O
InChIInChI=1S/4C2H6.2H2O4S/c4*1-2;2*1-5(2,3)4/h4*1-2H3;2*(H2,1,2,3,4)
InChIKeyHPTOSPNYMKUYEM-UHFFFAOYSA-N
XLogP2.80
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

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CID 172733048
CID 173398648
CID 173398648
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cerium;sulfuric acid
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sulfuric acid;zinc
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bismuthane;sulfuric acid
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methane;sulfuric acid
CID 174865737

Frequently Asked Questions

What is the IUPAC name of ethane;sulfuric acid?
The IUPAC name of ethane;sulfuric acid (CID 174865721) is ethane;sulfuric acid.
What is the SMILES notation for ethane;sulfuric acid?
The canonical SMILES for ethane;sulfuric acid is CC.CC.CC.CC.O=S(=O)(O)O.O=S(=O)(O)O.
What is the InChIKey of ethane;sulfuric acid?
The InChIKey is HPTOSPNYMKUYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/4C2H6.2H2O4S/c4*1-2;2*1-5(2,3)4/h4*1-2H3;2*(H2,1,2,3,4).
What are the key properties of ethane;sulfuric acid?
ethane;sulfuric acid has a molecular weight of 316.44 g/mol, XLogP of 2.80, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;sulfuric acid is sourced from PubChem (CID 174865721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).