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

C4HF3LiNO2S2 — CID 146571351

IUPAClithium 2-(trifluoromethyl)-1,3-thiazole-5-sulfinate
SMILESO=S([O-])c1cnc(C(F)(F)F)s1.[Li+]
InChIInChI=1S/C4H2F3NO2S2.Li/c5-4(6,7)3-8-1-2(11-3)12(9)10;/h1H,(H,9,10);/q;+1/p-1
InChIKeyBKMJZYGBLBGWRX-UHFFFAOYSA-M
MW223.13 g/mol
LogP-1.60
Rot. Bonds1

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

lithium 2-(trifluoromethyl)-1,3-thiazole-5-sulfinate (PubChem CID 146571351) has the molecular formula C4HF3LiNO2S2 and a molecular weight of 223.13 g/mol. Its IUPAC name is lithium 2-(trifluoromethyl)-1,3-thiazole-5-sulfinate.

Molecular Properties

Compound Namelithium 2-(trifluoromethyl)-1,3-thiazole-5-sulfinate
PubChem CID146571351
Molecular FormulaC4HF3LiNO2S2
Molecular Weight223.13 g/mol
Exact Mass222.96
IUPAC Namelithium 2-(trifluoromethyl)-1,3-thiazole-5-sulfinate
SMILESO=S([O-])c1cnc(C(F)(F)F)s1.[Li+]
InChIInChI=1S/C4H2F3NO2S2.Li/c5-4(6,7)3-8-1-2(11-3)12(9)10;/h1H,(H,9,10);/q;+1/p-1
InChIKeyBKMJZYGBLBGWRX-UHFFFAOYSA-M
XLogP-1.60
TPSA53.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.13
LogP ≤ 5-1.60
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 lithium 2-(trifluoromethyl)-1,3-thiazole-5-sulfinate?
The IUPAC name of lithium 2-(trifluoromethyl)-1,3-thiazole-5-sulfinate (CID 146571351) is lithium 2-(trifluoromethyl)-1,3-thiazole-5-sulfinate.
What is the SMILES notation for lithium 2-(trifluoromethyl)-1,3-thiazole-5-sulfinate?
The canonical SMILES for lithium 2-(trifluoromethyl)-1,3-thiazole-5-sulfinate is O=S([O-])c1cnc(C(F)(F)F)s1.[Li+].
What is the InChIKey of lithium 2-(trifluoromethyl)-1,3-thiazole-5-sulfinate?
The InChIKey is BKMJZYGBLBGWRX-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H2F3NO2S2.Li/c5-4(6,7)3-8-1-2(11-3)12(9)10;/h1H,(H,9,10);/q;+1/p-1.
What are the key properties of lithium 2-(trifluoromethyl)-1,3-thiazole-5-sulfinate?
lithium 2-(trifluoromethyl)-1,3-thiazole-5-sulfinate has a molecular weight of 223.13 g/mol, XLogP of -1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-(trifluoromethyl)-1,3-thiazole-5-sulfinate is sourced from PubChem (CID 146571351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).