sulfurothioic O-acid;2,2,2-trifluoroacetic acid

C2H3F3O5S2 — CID 87348477

IUPACsulfurothioic O-acid;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=S(O)(O)=S
InChIInChI=1S/C2HF3O2.H2O3S2/c3-2(4,5)1(6)7;1-5(2,3)4/h(H,6,7);(H2,1,2,3,4)
InChIKeyKHQFASHUCJLFPI-UHFFFAOYSA-N
MW228.17 g/mol
LogP0.31
Rot. Bonds

About sulfurothioic O-acid;2,2,2-trifluoroacetic acid

sulfurothioic O-acid;2,2,2-trifluoroacetic acid (PubChem CID 87348477) has the molecular formula C2H3F3O5S2 and a molecular weight of 228.17 g/mol. Its IUPAC name is sulfurothioic O-acid;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namesulfurothioic O-acid;2,2,2-trifluoroacetic acid
PubChem CID87348477
Molecular FormulaC2H3F3O5S2
Molecular Weight228.17 g/mol
Exact Mass227.94
IUPAC Namesulfurothioic O-acid;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=S(O)(O)=S
InChIInChI=1S/C2HF3O2.H2O3S2/c3-2(4,5)1(6)7;1-5(2,3)4/h(H,6,7);(H2,1,2,3,4)
InChIKeyKHQFASHUCJLFPI-UHFFFAOYSA-N
XLogP0.31
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.17
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze sulfurothioic O-acid;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

azane;tris(2,2,2-trifluoroacetic acid)
CID 175976837
erbium;tris(2,2,2-trifluoroacetic acid)
CID 118855690
azane;pentakis(2,2,2-trifluoroacetic acid)
CID 174693543
2,2,2-trifluoroacetic acid;trihydrofluoride
CID 171927516
CID 85392225
CID 85392225
sulfanium 2,2,2-trifluoroacetic acid
CID 158048002
methyl hydrogen sulfate;2,2,2-trifluoroacetic acid
CID 172730808
bis(oxygen(2-));titanium(4+);2,2,2-trifluoroacetic acid
CID 157338255
magnesium;hydride;tris(2,2,2-trifluoroacetic acid)
CID 173424393
magnesium;hydride;bis(2,2,2-trifluoroacetic acid)
CID 173420344
CID 159010746
CID 159010746
copper;2,2,2-trifluoroacetic acid;tetrahydrate
CID 175128506

Frequently Asked Questions

What is the IUPAC name of sulfurothioic O-acid;2,2,2-trifluoroacetic acid?
The IUPAC name of sulfurothioic O-acid;2,2,2-trifluoroacetic acid (CID 87348477) is sulfurothioic O-acid;2,2,2-trifluoroacetic acid.
What is the SMILES notation for sulfurothioic O-acid;2,2,2-trifluoroacetic acid?
The canonical SMILES for sulfurothioic O-acid;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=S(O)(O)=S.
What is the InChIKey of sulfurothioic O-acid;2,2,2-trifluoroacetic acid?
The InChIKey is KHQFASHUCJLFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HF3O2.H2O3S2/c3-2(4,5)1(6)7;1-5(2,3)4/h(H,6,7);(H2,1,2,3,4).
What are the key properties of sulfurothioic O-acid;2,2,2-trifluoroacetic acid?
sulfurothioic O-acid;2,2,2-trifluoroacetic acid has a molecular weight of 228.17 g/mol, XLogP of 0.31, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sulfurothioic O-acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 87348477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).