prop-1-ene;sulfo hydrogen sulfate

C3H8O7S2 — CID 158163736

IUPACprop-1-ene;sulfo hydrogen sulfate
SMILESC=CC.O=S(=O)(O)OS(=O)(=O)O
InChIInChI=1S/C3H6.H2O7S2/c1-3-2;1-8(2,3)7-9(4,5)6/h3H,1H2,2H3;(H,1,2,3)(H,4,5,6)
InChIKeyFWOYPFJTOJFIDI-UHFFFAOYSA-N
MW220.22 g/mol
LogP-0.20
Rot. Bonds2

About prop-1-ene;sulfo hydrogen sulfate

prop-1-ene;sulfo hydrogen sulfate (PubChem CID 158163736) has the molecular formula C3H8O7S2 and a molecular weight of 220.22 g/mol. Its IUPAC name is prop-1-ene;sulfo hydrogen sulfate.

Molecular Properties

Compound Nameprop-1-ene;sulfo hydrogen sulfate
PubChem CID158163736
Molecular FormulaC3H8O7S2
Molecular Weight220.22 g/mol
Exact Mass219.97
IUPAC Nameprop-1-ene;sulfo hydrogen sulfate
SMILESC=CC.O=S(=O)(O)OS(=O)(=O)O
InChIInChI=1S/C3H6.H2O7S2/c1-3-2;1-8(2,3)7-9(4,5)6/h3H,1H2,2H3;(H,1,2,3)(H,4,5,6)
InChIKeyFWOYPFJTOJFIDI-UHFFFAOYSA-N
XLogP-0.20
TPSA117.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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 prop-1-ene;sulfo hydrogen sulfate?
The IUPAC name of prop-1-ene;sulfo hydrogen sulfate (CID 158163736) is prop-1-ene;sulfo hydrogen sulfate.
What is the SMILES notation for prop-1-ene;sulfo hydrogen sulfate?
The canonical SMILES for prop-1-ene;sulfo hydrogen sulfate is C=CC.O=S(=O)(O)OS(=O)(=O)O.
What is the InChIKey of prop-1-ene;sulfo hydrogen sulfate?
The InChIKey is FWOYPFJTOJFIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6.H2O7S2/c1-3-2;1-8(2,3)7-9(4,5)6/h3H,1H2,2H3;(H,1,2,3)(H,4,5,6).
What are the key properties of prop-1-ene;sulfo hydrogen sulfate?
prop-1-ene;sulfo hydrogen sulfate has a molecular weight of 220.22 g/mol, XLogP of -0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-ene;sulfo hydrogen sulfate is sourced from PubChem (CID 158163736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).