sodium;styrene;sulfite

C8H8NaO3S- — CID 22501435

IUPACsodium;styrene;sulfite
SMILESC=Cc1ccccc1.O=S([O-])[O-].[Na+]
InChIInChI=1S/C8H8.Na.H2O3S/c1-2-8-6-4-3-5-7-8;;1-4(2)3/h2-7H,1H2;;(H2,1,2,3)/q;+1;/p-2
InChIKeyVGPWJALHAFCPGN-UHFFFAOYSA-L
MW207.21 g/mol
LogP-1.67
Rot. Bonds1

About sodium;styrene;sulfite

sodium;styrene;sulfite (PubChem CID 22501435) has the molecular formula C8H8NaO3S- and a molecular weight of 207.21 g/mol. Its IUPAC name is sodium;styrene;sulfite.

Molecular Properties

Compound Namesodium;styrene;sulfite
PubChem CID22501435
Molecular FormulaC8H8NaO3S-
Molecular Weight207.21 g/mol
Exact Mass207.01
IUPAC Namesodium;styrene;sulfite
SMILESC=Cc1ccccc1.O=S([O-])[O-].[Na+]
InChIInChI=1S/C8H8.Na.H2O3S/c1-2-8-6-4-3-5-7-8;;1-4(2)3/h2-7H,1H2;;(H2,1,2,3)/q;+1;/p-2
InChIKeyVGPWJALHAFCPGN-UHFFFAOYSA-L
XLogP-1.67
TPSA63.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.21
LogP ≤ 5-1.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze sodium;styrene;sulfite 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;styrene;sulfite?
The IUPAC name of sodium;styrene;sulfite (CID 22501435) is sodium;styrene;sulfite.
What is the SMILES notation for sodium;styrene;sulfite?
The canonical SMILES for sodium;styrene;sulfite is C=Cc1ccccc1.O=S([O-])[O-].[Na+].
What is the InChIKey of sodium;styrene;sulfite?
The InChIKey is VGPWJALHAFCPGN-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H8.Na.H2O3S/c1-2-8-6-4-3-5-7-8;;1-4(2)3/h2-7H,1H2;;(H2,1,2,3)/q;+1;/p-2.
What are the key properties of sodium;styrene;sulfite?
sodium;styrene;sulfite has a molecular weight of 207.21 g/mol, XLogP of -1.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;styrene;sulfite is sourced from PubChem (CID 22501435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).