sodium;ethyl prop-2-enyl sulfate;hydride

C5H11NaO4S — CID 173210575

IUPACsodium;ethyl prop-2-enyl sulfate;hydride
SMILESC=CCOS(=O)(=O)OCC.[H-].[Na+]
InChIInChI=1S/C5H10O4S.Na.H/c1-3-5-9-10(6,7)8-4-2;;/h3H,1,4-5H2,2H3;;/q;+1;-1
InChIKeyCRAOEOYVMVYKSJ-UHFFFAOYSA-N
MW190.20 g/mol
LogP-2.41
Rot. Bonds5

About sodium;ethyl prop-2-enyl sulfate;hydride

sodium;ethyl prop-2-enyl sulfate;hydride (PubChem CID 173210575) has the molecular formula C5H11NaO4S and a molecular weight of 190.20 g/mol. Its IUPAC name is sodium;ethyl prop-2-enyl sulfate;hydride.

Molecular Properties

Compound Namesodium;ethyl prop-2-enyl sulfate;hydride
PubChem CID173210575
Molecular FormulaC5H11NaO4S
Molecular Weight190.20 g/mol
Exact Mass190.03
IUPAC Namesodium;ethyl prop-2-enyl sulfate;hydride
SMILESC=CCOS(=O)(=O)OCC.[H-].[Na+]
InChIInChI=1S/C5H10O4S.Na.H/c1-3-5-9-10(6,7)8-4-2;;/h3H,1,4-5H2,2H3;;/q;+1;-1
InChIKeyCRAOEOYVMVYKSJ-UHFFFAOYSA-N
XLogP-2.41
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 5-2.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze sodium;ethyl prop-2-enyl sulfate;hydride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dimethylethanamine;ethyl prop-2-enyl sulfate
CID 87856591
ethoxy prop-2-enyl sulfate
CID 87065036
diethyl sulfate;sulfuric acid
CID 158458335
CID 159839688
CID 159839688
prop-2-enyl 2-propoxyethyl sulfate
CID 87060829
diethyl sulfate;iodoethane
CID 157176238
ethyl 3-prop-2-enylhex-5-enyl sulfate
CID 146585817
2-aminoethanol;ethoxy prop-2-enyl sulfate
CID 90391642
sodium;ethyl hydrogen sulfate;hydride;sulfuric acid
CID 174986471
azane;3-ethoxyprop-1-ene;sulfuric acid
CID 175196080
nitroso prop-2-enyl sulfate
CID 151816255
prop-2-enyl pent-1-ene-1-sulfonate
CID 123535532

Frequently Asked Questions

What is the IUPAC name of sodium;ethyl prop-2-enyl sulfate;hydride?
The IUPAC name of sodium;ethyl prop-2-enyl sulfate;hydride (CID 173210575) is sodium;ethyl prop-2-enyl sulfate;hydride.
What is the SMILES notation for sodium;ethyl prop-2-enyl sulfate;hydride?
The canonical SMILES for sodium;ethyl prop-2-enyl sulfate;hydride is C=CCOS(=O)(=O)OCC.[H-].[Na+].
What is the InChIKey of sodium;ethyl prop-2-enyl sulfate;hydride?
The InChIKey is CRAOEOYVMVYKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O4S.Na.H/c1-3-5-9-10(6,7)8-4-2;;/h3H,1,4-5H2,2H3;;/q;+1;-1.
What are the key properties of sodium;ethyl prop-2-enyl sulfate;hydride?
sodium;ethyl prop-2-enyl sulfate;hydride has a molecular weight of 190.20 g/mol, XLogP of -2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;ethyl prop-2-enyl sulfate;hydride is sourced from PubChem (CID 173210575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).