lithium hydroxymethanesulfinate

CH3LiO3S — CID 87083528

IUPAClithium hydroxymethanesulfinate
SMILESO=S([O-])CO.[Li+]
InChIInChI=1S/CH4O3S.Li/c2-1-5(3)4;/h2H,1H2,(H,3,4);/q;+1/p-1
InChIKeyRWWLBOBNQFMPAZ-UHFFFAOYSA-M
MW102.04 g/mol
LogP-4.18
Rot. Bonds1

About lithium hydroxymethanesulfinate

lithium hydroxymethanesulfinate (PubChem CID 87083528) has the molecular formula CH3LiO3S and a molecular weight of 102.04 g/mol. Its IUPAC name is lithium hydroxymethanesulfinate.

Molecular Properties

Compound Namelithium hydroxymethanesulfinate
PubChem CID87083528
Molecular FormulaCH3LiO3S
Molecular Weight102.04 g/mol
Exact Mass102.00
IUPAC Namelithium hydroxymethanesulfinate
SMILESO=S([O-])CO.[Li+]
InChIInChI=1S/CH4O3S.Li/c2-1-5(3)4;/h2H,1H2,(H,3,4);/q;+1/p-1
InChIKeyRWWLBOBNQFMPAZ-UHFFFAOYSA-M
XLogP-4.18
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.04
LogP ≤ 5-4.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 lithium hydroxymethanesulfinate?
The IUPAC name of lithium hydroxymethanesulfinate (CID 87083528) is lithium hydroxymethanesulfinate.
What is the SMILES notation for lithium hydroxymethanesulfinate?
The canonical SMILES for lithium hydroxymethanesulfinate is O=S([O-])CO.[Li+].
What is the InChIKey of lithium hydroxymethanesulfinate?
The InChIKey is RWWLBOBNQFMPAZ-UHFFFAOYSA-M. The full InChI is InChI=1S/CH4O3S.Li/c2-1-5(3)4;/h2H,1H2,(H,3,4);/q;+1/p-1.
What are the key properties of lithium hydroxymethanesulfinate?
lithium hydroxymethanesulfinate has a molecular weight of 102.04 g/mol, XLogP of -4.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium hydroxymethanesulfinate is sourced from PubChem (CID 87083528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).