sodium;hydride;oxo-prop-2-enoxy-prop-2-enyl-sulfanylidene-λ6-sulfane

C6H11NaO2S2 — CID 174604196

IUPACsodium;hydride;oxo-prop-2-enoxy-prop-2-enyl-sulfanylidene-λ6-sulfane
SMILESC=CCOS(=O)(=S)CC=C.[H-].[Na+]
InChIInChI=1S/C6H10O2S2.Na.H/c1-3-5-8-10(7,9)6-4-2;;/h3-4H,1-2,5-6H2;;/q;+1;-1
InChIKeyCUGVZTNXNDKSDT-UHFFFAOYSA-N
MW202.28 g/mol
LogP-1.85
Rot. Bonds5

About sodium;hydride;oxo-prop-2-enoxy-prop-2-enyl-sulfanylidene-λ6-sulfane

sodium;hydride;oxo-prop-2-enoxy-prop-2-enyl-sulfanylidene-λ6-sulfane (PubChem CID 174604196) has the molecular formula C6H11NaO2S2 and a molecular weight of 202.28 g/mol. Its IUPAC name is sodium;hydride;oxo-prop-2-enoxy-prop-2-enyl-sulfanylidene-λ6-sulfane.

Molecular Properties

Compound Namesodium;hydride;oxo-prop-2-enoxy-prop-2-enyl-sulfanylidene-λ6-sulfane
PubChem CID174604196
Molecular FormulaC6H11NaO2S2
Molecular Weight202.28 g/mol
Exact Mass202.01
IUPAC Namesodium;hydride;oxo-prop-2-enoxy-prop-2-enyl-sulfanylidene-λ6-sulfane
SMILESC=CCOS(=O)(=S)CC=C.[H-].[Na+]
InChIInChI=1S/C6H10O2S2.Na.H/c1-3-5-8-10(7,9)6-4-2;;/h3-4H,1-2,5-6H2;;/q;+1;-1
InChIKeyCUGVZTNXNDKSDT-UHFFFAOYSA-N
XLogP-1.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 5-1.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze sodium;hydride;oxo-prop-2-enoxy-prop-2-enyl-sulfanylidene-λ6-sulfane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;oxo-prop-2-enoxy-prop-2-enyl-sulfanylidene-λ6-sulfane?
The IUPAC name of sodium;hydride;oxo-prop-2-enoxy-prop-2-enyl-sulfanylidene-λ6-sulfane (CID 174604196) is sodium;hydride;oxo-prop-2-enoxy-prop-2-enyl-sulfanylidene-λ6-sulfane.
What is the SMILES notation for sodium;hydride;oxo-prop-2-enoxy-prop-2-enyl-sulfanylidene-λ6-sulfane?
The canonical SMILES for sodium;hydride;oxo-prop-2-enoxy-prop-2-enyl-sulfanylidene-λ6-sulfane is C=CCOS(=O)(=S)CC=C.[H-].[Na+].
What is the InChIKey of sodium;hydride;oxo-prop-2-enoxy-prop-2-enyl-sulfanylidene-λ6-sulfane?
The InChIKey is CUGVZTNXNDKSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2S2.Na.H/c1-3-5-8-10(7,9)6-4-2;;/h3-4H,1-2,5-6H2;;/q;+1;-1.
What are the key properties of sodium;hydride;oxo-prop-2-enoxy-prop-2-enyl-sulfanylidene-λ6-sulfane?
sodium;hydride;oxo-prop-2-enoxy-prop-2-enyl-sulfanylidene-λ6-sulfane has a molecular weight of 202.28 g/mol, XLogP of -1.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;oxo-prop-2-enoxy-prop-2-enyl-sulfanylidene-λ6-sulfane is sourced from PubChem (CID 174604196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).