2-(trifluoromethyl)-1,3-thiazole-5-sulfinic acid

C4H2F3NO2S2 — CID 146571352

IUPAC2-(trifluoromethyl)-1,3-thiazole-5-sulfinic acid
SMILESO=S(O)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C4H2F3NO2S2/c5-4(6,7)3-8-1-2(11-3)12(9)10/h1H,(H,9,10)
InChIKeyZJLLZNDDXITVSV-UHFFFAOYSA-N
MW217.19 g/mol
LogP1.74
Rot. Bonds1

About 2-(trifluoromethyl)-1,3-thiazole-5-sulfinic acid

2-(trifluoromethyl)-1,3-thiazole-5-sulfinic acid (PubChem CID 146571352) has the molecular formula C4H2F3NO2S2 and a molecular weight of 217.19 g/mol. Its IUPAC name is 2-(trifluoromethyl)-1,3-thiazole-5-sulfinic acid.

Molecular Properties

Compound Name2-(trifluoromethyl)-1,3-thiazole-5-sulfinic acid
PubChem CID146571352
Molecular FormulaC4H2F3NO2S2
Molecular Weight217.19 g/mol
Exact Mass216.95
IUPAC Name2-(trifluoromethyl)-1,3-thiazole-5-sulfinic acid
SMILESO=S(O)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C4H2F3NO2S2/c5-4(6,7)3-8-1-2(11-3)12(9)10/h1H,(H,9,10)
InChIKeyZJLLZNDDXITVSV-UHFFFAOYSA-N
XLogP1.74
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopropyl-1,3-thiazole-5-sulfinic acid
CID 165456056
2-(tert-butylamino)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
CID 106784739
2-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butanoic acid
CID 106784489
3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propanoic acid
CID 106784034
2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetaldehyde
CID 106784054
(5-bromothiophen-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782498
3,3-dimethyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-ol
CID 106782217
5-(chloromethyl)-2-(trifluoromethyl)-1,3-thiazole
CID 15171128
1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butane-1,2-diol
CID 106782928
3-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one
CID 106782430
2-amino-2-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one
CID 106784750
4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-2-one
CID 106784127

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-1,3-thiazole-5-sulfinic acid?
The IUPAC name of 2-(trifluoromethyl)-1,3-thiazole-5-sulfinic acid (CID 146571352) is 2-(trifluoromethyl)-1,3-thiazole-5-sulfinic acid.
What is the SMILES notation for 2-(trifluoromethyl)-1,3-thiazole-5-sulfinic acid?
The canonical SMILES for 2-(trifluoromethyl)-1,3-thiazole-5-sulfinic acid is O=S(O)c1cnc(C(F)(F)F)s1.
What is the InChIKey of 2-(trifluoromethyl)-1,3-thiazole-5-sulfinic acid?
The InChIKey is ZJLLZNDDXITVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F3NO2S2/c5-4(6,7)3-8-1-2(11-3)12(9)10/h1H,(H,9,10).
What are the key properties of 2-(trifluoromethyl)-1,3-thiazole-5-sulfinic acid?
2-(trifluoromethyl)-1,3-thiazole-5-sulfinic acid has a molecular weight of 217.19 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-1,3-thiazole-5-sulfinic acid is sourced from PubChem (CID 146571352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).