lithium 2-(1,1-difluoroethyl)-1,3-thiazole-5-sulfinate

C5H4F2LiNO2S2 — CID 155973436

IUPAClithium 2-(1,1-difluoroethyl)-1,3-thiazole-5-sulfinate
SMILESCC(F)(F)c1ncc(S(=O)[O-])s1.[Li+]
InChIInChI=1S/C5H5F2NO2S2.Li/c1-5(6,7)4-8-2-3(11-4)12(9)10;/h2H,1H3,(H,9,10);/q;+1/p-1
InChIKeyHFYREXWJAOFCER-UHFFFAOYSA-M
MW219.16 g/mol
LogP-1.50
Rot. Bonds2

About lithium 2-(1,1-difluoroethyl)-1,3-thiazole-5-sulfinate

lithium 2-(1,1-difluoroethyl)-1,3-thiazole-5-sulfinate (PubChem CID 155973436) has the molecular formula C5H4F2LiNO2S2 and a molecular weight of 219.16 g/mol. Its IUPAC name is lithium 2-(1,1-difluoroethyl)-1,3-thiazole-5-sulfinate.

Molecular Properties

Compound Namelithium 2-(1,1-difluoroethyl)-1,3-thiazole-5-sulfinate
PubChem CID155973436
Molecular FormulaC5H4F2LiNO2S2
Molecular Weight219.16 g/mol
Exact Mass218.98
IUPAC Namelithium 2-(1,1-difluoroethyl)-1,3-thiazole-5-sulfinate
SMILESCC(F)(F)c1ncc(S(=O)[O-])s1.[Li+]
InChIInChI=1S/C5H5F2NO2S2.Li/c1-5(6,7)4-8-2-3(11-4)12(9)10;/h2H,1H3,(H,9,10);/q;+1/p-1
InChIKeyHFYREXWJAOFCER-UHFFFAOYSA-M
XLogP-1.50
TPSA53.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.16
LogP ≤ 5-1.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze lithium 2-(1,1-difluoroethyl)-1,3-thiazole-5-sulfinate 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 lithium 2-(1,1-difluoroethyl)-1,3-thiazole-5-sulfinate?
The IUPAC name of lithium 2-(1,1-difluoroethyl)-1,3-thiazole-5-sulfinate (CID 155973436) is lithium 2-(1,1-difluoroethyl)-1,3-thiazole-5-sulfinate.
What is the SMILES notation for lithium 2-(1,1-difluoroethyl)-1,3-thiazole-5-sulfinate?
The canonical SMILES for lithium 2-(1,1-difluoroethyl)-1,3-thiazole-5-sulfinate is CC(F)(F)c1ncc(S(=O)[O-])s1.[Li+].
What is the InChIKey of lithium 2-(1,1-difluoroethyl)-1,3-thiazole-5-sulfinate?
The InChIKey is HFYREXWJAOFCER-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H5F2NO2S2.Li/c1-5(6,7)4-8-2-3(11-4)12(9)10;/h2H,1H3,(H,9,10);/q;+1/p-1.
What are the key properties of lithium 2-(1,1-difluoroethyl)-1,3-thiazole-5-sulfinate?
lithium 2-(1,1-difluoroethyl)-1,3-thiazole-5-sulfinate has a molecular weight of 219.16 g/mol, XLogP of -1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-(1,1-difluoroethyl)-1,3-thiazole-5-sulfinate is sourced from PubChem (CID 155973436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).