tin(2+);bis(1,1,1-trifluoro-2-sulfinatoethane)

C4H4F6O4S2Sn — CID 154100897

IUPACtin(2+);bis(1,1,1-trifluoro-2-sulfinatoethane)
SMILESO=[S-](=O)CC(F)(F)F.O=[S-](=O)CC(F)(F)F.[Sn+2]
InChIInChI=1S/2C2H2F3O2S.Sn/c2*3-2(4,5)1-8(6)7;/h2*1H2;/q2*-1;+2
InChIKeyDJXYHROKQBBQDE-UHFFFAOYSA-N
MW412.91 g/mol
LogP1.34
Rot. Bonds2

About tin(2+);bis(1,1,1-trifluoro-2-sulfinatoethane)

tin(2+);bis(1,1,1-trifluoro-2-sulfinatoethane) (PubChem CID 154100897) has the molecular formula C4H4F6O4S2Sn and a molecular weight of 412.91 g/mol. Its IUPAC name is tin(2+);bis(1,1,1-trifluoro-2-sulfinatoethane).

Molecular Properties

Compound Nametin(2+);bis(1,1,1-trifluoro-2-sulfinatoethane)
PubChem CID154100897
Molecular FormulaC4H4F6O4S2Sn
Molecular Weight412.91 g/mol
Exact Mass413.85
IUPAC Nametin(2+);bis(1,1,1-trifluoro-2-sulfinatoethane)
SMILESO=[S-](=O)CC(F)(F)F.O=[S-](=O)CC(F)(F)F.[Sn+2]
InChIInChI=1S/2C2H2F3O2S.Sn/c2*3-2(4,5)1-8(6)7;/h2*1H2;/q2*-1;+2
InChIKeyDJXYHROKQBBQDE-UHFFFAOYSA-N
XLogP1.34
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.91
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tin(2+);bis(1,1,1-trifluoro-2-sulfinatoethane)?
The IUPAC name of tin(2+);bis(1,1,1-trifluoro-2-sulfinatoethane) (CID 154100897) is tin(2+);bis(1,1,1-trifluoro-2-sulfinatoethane).
What is the SMILES notation for tin(2+);bis(1,1,1-trifluoro-2-sulfinatoethane)?
The canonical SMILES for tin(2+);bis(1,1,1-trifluoro-2-sulfinatoethane) is O=[S-](=O)CC(F)(F)F.O=[S-](=O)CC(F)(F)F.[Sn+2].
What is the InChIKey of tin(2+);bis(1,1,1-trifluoro-2-sulfinatoethane)?
The InChIKey is DJXYHROKQBBQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H2F3O2S.Sn/c2*3-2(4,5)1-8(6)7;/h2*1H2;/q2*-1;+2.
What are the key properties of tin(2+);bis(1,1,1-trifluoro-2-sulfinatoethane)?
tin(2+);bis(1,1,1-trifluoro-2-sulfinatoethane) has a molecular weight of 412.91 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tin(2+);bis(1,1,1-trifluoro-2-sulfinatoethane) is sourced from PubChem (CID 154100897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).