2-prop-2-enylsulfonylsulfonylethanol;sulfuric acid

C5H12O9S3 — CID 174757300

IUPAC2-prop-2-enylsulfonylsulfonylethanol;sulfuric acid
SMILESC=CCS(=O)(=O)S(=O)(=O)CCO.O=S(=O)(O)O
InChIInChI=1S/C5H10O5S2.H2O4S/c1-2-4-11(7,8)12(9,10)5-3-6;1-5(2,3)4/h2,6H,1,3-5H2;(H2,1,2,3,4)
InChIKeyBBDZIPCFHMBJRY-UHFFFAOYSA-N
MW312.34 g/mol
LogP-1.74
Rot. Bonds5

About 2-prop-2-enylsulfonylsulfonylethanol;sulfuric acid

2-prop-2-enylsulfonylsulfonylethanol;sulfuric acid (PubChem CID 174757300) has the molecular formula C5H12O9S3 and a molecular weight of 312.34 g/mol. Its IUPAC name is 2-prop-2-enylsulfonylsulfonylethanol;sulfuric acid.

Molecular Properties

Compound Name2-prop-2-enylsulfonylsulfonylethanol;sulfuric acid
PubChem CID174757300
Molecular FormulaC5H12O9S3
Molecular Weight312.34 g/mol
Exact Mass311.96
IUPAC Name2-prop-2-enylsulfonylsulfonylethanol;sulfuric acid
SMILESC=CCS(=O)(=O)S(=O)(=O)CCO.O=S(=O)(O)O
InChIInChI=1S/C5H10O5S2.H2O4S/c1-2-4-11(7,8)12(9,10)5-3-6;1-5(2,3)4/h2,6H,1,3-5H2;(H2,1,2,3,4)
InChIKeyBBDZIPCFHMBJRY-UHFFFAOYSA-N
XLogP-1.74
TPSA163.11 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 5-1.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

ethane-1,2-diol;ethenol;sulfuric acid
CID 87139744
phosphane;prop-2-ene-1-sulfonic acid
CID 87475193
nickel;prop-2-ene-1-sulfonic acid
CID 87111330
ethenol;prop-2-ene-1-sulfonic acid
CID 174528992
cesium;hydride;prop-2-ene-1-sulfonic acid
CID 173073935
trisodium;hydride;pentakis(prop-2-ene-1-sulfonic acid)
CID 173239451
sodium;prop-1-ene;prop-2-ene-1-sulfonic acid
CID 88807724
ethenesulfonic acid;prop-2-ene-1-sulfonic acid
CID 87136700
dihydroxy(oxo)phosphanium;prop-2-ene-1-sulfonic acid
CID 87348389
prop-2-ene-1-sulfonic acid;prop-2-ene-1-thiol
CID 155045725
2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;sulfuric acid
CID 88726836
sodium;prop-2-ene-1-sulfonic acid;trifluoromethane
CID 174596418

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enylsulfonylsulfonylethanol;sulfuric acid?
The IUPAC name of 2-prop-2-enylsulfonylsulfonylethanol;sulfuric acid (CID 174757300) is 2-prop-2-enylsulfonylsulfonylethanol;sulfuric acid.
What is the SMILES notation for 2-prop-2-enylsulfonylsulfonylethanol;sulfuric acid?
The canonical SMILES for 2-prop-2-enylsulfonylsulfonylethanol;sulfuric acid is C=CCS(=O)(=O)S(=O)(=O)CCO.O=S(=O)(O)O.
What is the InChIKey of 2-prop-2-enylsulfonylsulfonylethanol;sulfuric acid?
The InChIKey is BBDZIPCFHMBJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O5S2.H2O4S/c1-2-4-11(7,8)12(9,10)5-3-6;1-5(2,3)4/h2,6H,1,3-5H2;(H2,1,2,3,4).
What are the key properties of 2-prop-2-enylsulfonylsulfonylethanol;sulfuric acid?
2-prop-2-enylsulfonylsulfonylethanol;sulfuric acid has a molecular weight of 312.34 g/mol, XLogP of -1.74, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enylsulfonylsulfonylethanol;sulfuric acid is sourced from PubChem (CID 174757300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).