ethane-1,2-diol;propane;sulfuric acid

C5H16O6S — CID 87108061

IUPACethane-1,2-diol;propane;sulfuric acid
SMILESCCC.O=S(=O)(O)O.OCCO
InChIInChI=1S/C3H8.C2H6O2.H2O4S/c1-3-2;3-1-2-4;1-5(2,3)4/h3H2,1-2H3;3-4H,1-2H2;(H2,1,2,3,4)
InChIKeyGMNYOCQXNDYAON-UHFFFAOYSA-N
MW204.24 g/mol
LogP-0.27
Rot. Bonds1

About ethane-1,2-diol;propane;sulfuric acid

ethane-1,2-diol;propane;sulfuric acid (PubChem CID 87108061) has the molecular formula C5H16O6S and a molecular weight of 204.24 g/mol. Its IUPAC name is ethane-1,2-diol;propane;sulfuric acid.

Molecular Properties

Compound Nameethane-1,2-diol;propane;sulfuric acid
PubChem CID87108061
Molecular FormulaC5H16O6S
Molecular Weight204.24 g/mol
Exact Mass204.07
IUPAC Nameethane-1,2-diol;propane;sulfuric acid
SMILESCCC.O=S(=O)(O)O.OCCO
InChIInChI=1S/C3H8.C2H6O2.H2O4S/c1-3-2;3-1-2-4;1-5(2,3)4/h3H2,1-2H3;3-4H,1-2H2;(H2,1,2,3,4)
InChIKeyGMNYOCQXNDYAON-UHFFFAOYSA-N
XLogP-0.27
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.24
LogP ≤ 5-0.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethane-1,2-diol;propane;sulfuric acid 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

propan-1-ol;sulfuric acid
CID 18757021
ethanol;iron;sulfuric acid
CID 174907324
ethanol;sulfuric acid;hydrate
CID 86634241
ethanol;silver;sulfuric acid
CID 174392237
ethanol;methanamine;sulfuric acid
CID 174912363
ethanol;hydrazine;sulfuric acid
CID 158277284
acetic acid;ethane-1,2-diol;ethanesulfonic acid
CID 87347528
pentan-1-ol;sulfuric acid
CID 87844098
butane;sulfuric acid;zinc
CID 175431012
sulfuric acid;tetradecan-1-ol
CID 87699970
ethane-1,2-diol;ethenol;sulfuric acid
CID 87139744
ethanesulfonic acid;propane-1,3-diol
CID 87127973

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;propane;sulfuric acid?
The IUPAC name of ethane-1,2-diol;propane;sulfuric acid (CID 87108061) is ethane-1,2-diol;propane;sulfuric acid.
What is the SMILES notation for ethane-1,2-diol;propane;sulfuric acid?
The canonical SMILES for ethane-1,2-diol;propane;sulfuric acid is CCC.O=S(=O)(O)O.OCCO.
What is the InChIKey of ethane-1,2-diol;propane;sulfuric acid?
The InChIKey is GMNYOCQXNDYAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8.C2H6O2.H2O4S/c1-3-2;3-1-2-4;1-5(2,3)4/h3H2,1-2H3;3-4H,1-2H2;(H2,1,2,3,4).
What are the key properties of ethane-1,2-diol;propane;sulfuric acid?
ethane-1,2-diol;propane;sulfuric acid has a molecular weight of 204.24 g/mol, XLogP of -0.27, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;propane;sulfuric acid is sourced from PubChem (CID 87108061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).