disodium;prop-1-ene;sulfate

C3H6Na2O4S — CID 172734907

IUPACdisodium;prop-1-ene;sulfate
SMILESC=CC.O=S(=O)([O-])[O-].[Na+].[Na+]
InChIInChI=1S/C3H6.2Na.H2O4S/c1-3-2;;;1-5(2,3)4/h3H,1H2,2H3;;;(H2,1,2,3,4)/q;2*+1;/p-2
InChIKeyIHLJUVRMUXYIMO-UHFFFAOYSA-L
MW184.12 g/mol
LogP-6.14
Rot. Bonds

About disodium;prop-1-ene;sulfate

disodium;prop-1-ene;sulfate (PubChem CID 172734907) has the molecular formula C3H6Na2O4S and a molecular weight of 184.12 g/mol. Its IUPAC name is disodium;prop-1-ene;sulfate.

Molecular Properties

Compound Namedisodium;prop-1-ene;sulfate
PubChem CID172734907
Molecular FormulaC3H6Na2O4S
Molecular Weight184.12 g/mol
Exact Mass183.98
IUPAC Namedisodium;prop-1-ene;sulfate
SMILESC=CC.O=S(=O)([O-])[O-].[Na+].[Na+]
InChIInChI=1S/C3H6.2Na.H2O4S/c1-3-2;;;1-5(2,3)4/h3H,1H2,2H3;;;(H2,1,2,3,4)/q;2*+1;/p-2
InChIKeyIHLJUVRMUXYIMO-UHFFFAOYSA-L
XLogP-6.14
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.12
LogP ≤ 5-6.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze disodium;prop-1-ene;sulfate 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

disodium;buta-1,3-diene;sulfate
CID 175307386
disodium;ethene;sulfate
CID 161033718
sodium;prop-1-ene;sulfoazanide
CID 22369884
disodium;prop-1-ene;carbonate
CID 174861808
copper;tetrasodium;trisulfate
CID 158226440
trisodium;bromide;sulfate
CID 173076247
sodium;sulfate;heptahydrate
CID 18522796
dilithium;hydride;prop-1-ene
CID 173133510
sodium;rhodium(3+);disulfate
CID 172743239
disodium;disulfate;hydrate
CID 20976610
disodium;sulfate;hydrofluoride
CID 158781826
sodium;lanthanum(3+);disulfate
CID 160871042

Frequently Asked Questions

What is the IUPAC name of disodium;prop-1-ene;sulfate?
The IUPAC name of disodium;prop-1-ene;sulfate (CID 172734907) is disodium;prop-1-ene;sulfate.
What is the SMILES notation for disodium;prop-1-ene;sulfate?
The canonical SMILES for disodium;prop-1-ene;sulfate is C=CC.O=S(=O)([O-])[O-].[Na+].[Na+].
What is the InChIKey of disodium;prop-1-ene;sulfate?
The InChIKey is IHLJUVRMUXYIMO-UHFFFAOYSA-L. The full InChI is InChI=1S/C3H6.2Na.H2O4S/c1-3-2;;;1-5(2,3)4/h3H,1H2,2H3;;;(H2,1,2,3,4)/q;2*+1;/p-2.
What are the key properties of disodium;prop-1-ene;sulfate?
disodium;prop-1-ene;sulfate has a molecular weight of 184.12 g/mol, XLogP of -6.14, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;prop-1-ene;sulfate is sourced from PubChem (CID 172734907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).