sodium;hydride;2-thiophen-3-ylbutyl sulfite

C8H12NaO3S2- — CID 174298231

IUPACsodium;hydride;2-thiophen-3-ylbutyl sulfite
SMILESCCC(COS(=O)[O-])c1ccsc1.[H-].[Na+]
InChIInChI=1S/C8H12O3S2.Na.H/c1-2-7(5-11-13(9)10)8-3-4-12-6-8;;/h3-4,6-7H,2,5H2,1H3,(H,9,10);;/q;+1;-1/p-1
InChIKeyLBMWJLCTQKRYGG-UHFFFAOYSA-M
MW243.30 g/mol
LogP-0.83
Rot. Bonds5

About sodium;hydride;2-thiophen-3-ylbutyl sulfite

sodium;hydride;2-thiophen-3-ylbutyl sulfite (PubChem CID 174298231) has the molecular formula C8H12NaO3S2- and a molecular weight of 243.30 g/mol. Its IUPAC name is sodium;hydride;2-thiophen-3-ylbutyl sulfite.

Molecular Properties

Compound Namesodium;hydride;2-thiophen-3-ylbutyl sulfite
PubChem CID174298231
Molecular FormulaC8H12NaO3S2-
Molecular Weight243.30 g/mol
Exact Mass243.01
IUPAC Namesodium;hydride;2-thiophen-3-ylbutyl sulfite
SMILESCCC(COS(=O)[O-])c1ccsc1.[H-].[Na+]
InChIInChI=1S/C8H12O3S2.Na.H/c1-2-7(5-11-13(9)10)8-3-4-12-6-8;;/h3-4,6-7H,2,5H2,1H3,(H,9,10);;/q;+1;-1/p-1
InChIKeyLBMWJLCTQKRYGG-UHFFFAOYSA-M
XLogP-0.83
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 5-0.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium;hydride;2-thiophen-3-ylbutyl sulfite?
The IUPAC name of sodium;hydride;2-thiophen-3-ylbutyl sulfite (CID 174298231) is sodium;hydride;2-thiophen-3-ylbutyl sulfite.
What is the SMILES notation for sodium;hydride;2-thiophen-3-ylbutyl sulfite?
The canonical SMILES for sodium;hydride;2-thiophen-3-ylbutyl sulfite is CCC(COS(=O)[O-])c1ccsc1.[H-].[Na+].
What is the InChIKey of sodium;hydride;2-thiophen-3-ylbutyl sulfite?
The InChIKey is LBMWJLCTQKRYGG-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H12O3S2.Na.H/c1-2-7(5-11-13(9)10)8-3-4-12-6-8;;/h3-4,6-7H,2,5H2,1H3,(H,9,10);;/q;+1;-1/p-1.
What are the key properties of sodium;hydride;2-thiophen-3-ylbutyl sulfite?
sodium;hydride;2-thiophen-3-ylbutyl sulfite has a molecular weight of 243.30 g/mol, XLogP of -0.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;2-thiophen-3-ylbutyl sulfite is sourced from PubChem (CID 174298231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).