sodium;2-bromoethanesulfonic acid;hydride

C2H6BrNaO3S — CID 172996563

IUPACsodium;2-bromoethanesulfonic acid;hydride
SMILESO=S(=O)(O)CCBr.[H-].[Na+]
InChIInChI=1S/C2H5BrO3S.Na.H/c3-1-2-7(4,5)6;;/h1-2H2,(H,4,5,6);;/q;+1;-1
InChIKeyARINFVYQPJOKMJ-UHFFFAOYSA-N
MW213.03 g/mol
LogP-2.61
Rot. Bonds2

About sodium;2-bromoethanesulfonic acid;hydride

sodium;2-bromoethanesulfonic acid;hydride (PubChem CID 172996563) has the molecular formula C2H6BrNaO3S and a molecular weight of 213.03 g/mol. Its IUPAC name is sodium;2-bromoethanesulfonic acid;hydride.

Molecular Properties

Compound Namesodium;2-bromoethanesulfonic acid;hydride
PubChem CID172996563
Molecular FormulaC2H6BrNaO3S
Molecular Weight213.03 g/mol
Exact Mass211.91
IUPAC Namesodium;2-bromoethanesulfonic acid;hydride
SMILESO=S(=O)(O)CCBr.[H-].[Na+]
InChIInChI=1S/C2H5BrO3S.Na.H/c3-1-2-7(4,5)6;;/h1-2H2,(H,4,5,6);;/q;+1;-1
InChIKeyARINFVYQPJOKMJ-UHFFFAOYSA-N
XLogP-2.61
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.03
LogP ≤ 5-2.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

calcium;ethane-1,2-disulfonic acid;hydride
CID 173073207
sodium;hydride;octadecane-1,18-disulfonic acid
CID 174554044
sodium;hydride;2-hydroxyethanesulfonic acid
CID 173006152
sodium;decane-1,10-disulfonic acid;hydride
CID 173097800
14-bromotetradecane-1-sulfonic acid
CID 176903761
ethane-1,2-disulfonic acid;methane
CID 161397392
lithium;hydride;2-hydroxyethanesulfonic acid
CID 173041120
disodium;hydride;bis(2-[hydroxy(2-sulfoethyl)amino]ethanesulfonic acid)
CID 173082419
strontium;hexane-1,6-disulfonic acid;hydride
CID 173065455
ethane;pentakis(propane-1-sulfonic acid)
CID 158893831
sodium;carbanide;2-hydroxyethanesulfonic acid
CID 134208843
disodium;hydride;2-(methylamino)ethanesulfonic acid
CID 173271424

Frequently Asked Questions

What is the IUPAC name of sodium;2-bromoethanesulfonic acid;hydride?
The IUPAC name of sodium;2-bromoethanesulfonic acid;hydride (CID 172996563) is sodium;2-bromoethanesulfonic acid;hydride.
What is the SMILES notation for sodium;2-bromoethanesulfonic acid;hydride?
The canonical SMILES for sodium;2-bromoethanesulfonic acid;hydride is O=S(=O)(O)CCBr.[H-].[Na+].
What is the InChIKey of sodium;2-bromoethanesulfonic acid;hydride?
The InChIKey is ARINFVYQPJOKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5BrO3S.Na.H/c3-1-2-7(4,5)6;;/h1-2H2,(H,4,5,6);;/q;+1;-1.
What are the key properties of sodium;2-bromoethanesulfonic acid;hydride?
sodium;2-bromoethanesulfonic acid;hydride has a molecular weight of 213.03 g/mol, XLogP of -2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-bromoethanesulfonic acid;hydride is sourced from PubChem (CID 172996563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).