lithium;carbanide;2-(2-hydroxyethylsulfonyl)ethanesulfinate

C5H12LiO5S2- — CID 162510810

IUPAClithium;carbanide;2-(2-hydroxyethylsulfonyl)ethanesulfinate
SMILESO=S([O-])CCS(=O)(=O)CCO.[CH3-].[Li+]
InChIInChI=1S/C4H10O5S2.CH3.Li/c5-1-3-11(8,9)4-2-10(6)7;;/h5H,1-4H2,(H,6,7);1H3;/q;-1;+1/p-1
InChIKeyCCMSXWSZJLDYAL-UHFFFAOYSA-M
MW223.22 g/mol
LogP-4.27
Rot. Bonds5

About lithium;carbanide;2-(2-hydroxyethylsulfonyl)ethanesulfinate

lithium;carbanide;2-(2-hydroxyethylsulfonyl)ethanesulfinate (PubChem CID 162510810) has the molecular formula C5H12LiO5S2- and a molecular weight of 223.22 g/mol. Its IUPAC name is lithium;carbanide;2-(2-hydroxyethylsulfonyl)ethanesulfinate.

Molecular Properties

Compound Namelithium;carbanide;2-(2-hydroxyethylsulfonyl)ethanesulfinate
PubChem CID162510810
Molecular FormulaC5H12LiO5S2-
Molecular Weight223.22 g/mol
Exact Mass223.03
IUPAC Namelithium;carbanide;2-(2-hydroxyethylsulfonyl)ethanesulfinate
SMILESO=S([O-])CCS(=O)(=O)CCO.[CH3-].[Li+]
InChIInChI=1S/C4H10O5S2.CH3.Li/c5-1-3-11(8,9)4-2-10(6)7;;/h5H,1-4H2,(H,6,7);1H3;/q;-1;+1/p-1
InChIKeyCCMSXWSZJLDYAL-UHFFFAOYSA-M
XLogP-4.27
TPSA94.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.22
LogP ≤ 5-4.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-hydroxyethylsulfonyl)ethylsulfinyl]ethanol
CID 101405173
sodium 2-methylsulfonylethanesulfinate
CID 130538115
4-sulfobutane-1-sulfinate
CID 123879345
hydroxymethanesulfinate
CID 3566445
2-hydroxyethanesulfonate
CID 18931617
2-(6-aminohexylsulfonyl)ethanol
CID 170917653
2-(2-hydroxyethylsulfinyl)ethanol
CID 18330
strontium bis(2-hydroxyethanesulfonate)
CID 87367145
sodium;carbanide;2-hydroxyethanesulfonic acid
CID 134208843
4-(4-hydroxybutylsulfonyl)butan-1-ol
CID 14454817
2-(2-methylpropylsulfonyl)ethanol
CID 22979545
sodium 3-(2-hydroxyethyldisulfanyl)propane-1-sulfinate
CID 134994757

Frequently Asked Questions

What is the IUPAC name of lithium;carbanide;2-(2-hydroxyethylsulfonyl)ethanesulfinate?
The IUPAC name of lithium;carbanide;2-(2-hydroxyethylsulfonyl)ethanesulfinate (CID 162510810) is lithium;carbanide;2-(2-hydroxyethylsulfonyl)ethanesulfinate.
What is the SMILES notation for lithium;carbanide;2-(2-hydroxyethylsulfonyl)ethanesulfinate?
The canonical SMILES for lithium;carbanide;2-(2-hydroxyethylsulfonyl)ethanesulfinate is O=S([O-])CCS(=O)(=O)CCO.[CH3-].[Li+].
What is the InChIKey of lithium;carbanide;2-(2-hydroxyethylsulfonyl)ethanesulfinate?
The InChIKey is CCMSXWSZJLDYAL-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H10O5S2.CH3.Li/c5-1-3-11(8,9)4-2-10(6)7;;/h5H,1-4H2,(H,6,7);1H3;/q;-1;+1/p-1.
What are the key properties of lithium;carbanide;2-(2-hydroxyethylsulfonyl)ethanesulfinate?
lithium;carbanide;2-(2-hydroxyethylsulfonyl)ethanesulfinate has a molecular weight of 223.22 g/mol, XLogP of -4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;carbanide;2-(2-hydroxyethylsulfonyl)ethanesulfinate is sourced from PubChem (CID 162510810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).