sulfoformic acid;thiophene

C5H6O5S2 — CID 159730608

IUPACsulfoformic acid;thiophene
SMILESO=C(O)S(=O)(=O)O.c1ccsc1
InChIInChI=1S/C4H4S.CH2O5S/c1-2-4-5-3-1;2-1(3)7(4,5)6/h1-4H;(H,2,3)(H,4,5,6)
InChIKeyNBENBKHLEFFXIM-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.30
Rot. Bonds

About sulfoformic acid;thiophene

sulfoformic acid;thiophene (PubChem CID 159730608) has the molecular formula C5H6O5S2 and a molecular weight of 210.23 g/mol. Its IUPAC name is sulfoformic acid;thiophene.

Molecular Properties

Compound Namesulfoformic acid;thiophene
PubChem CID159730608
Molecular FormulaC5H6O5S2
Molecular Weight210.23 g/mol
Exact Mass209.97
IUPAC Namesulfoformic acid;thiophene
SMILESO=C(O)S(=O)(=O)O.c1ccsc1
InChIInChI=1S/C4H4S.CH2O5S/c1-2-4-5-3-1;2-1(3)7(4,5)6/h1-4H;(H,2,3)(H,4,5,6)
InChIKeyNBENBKHLEFFXIM-UHFFFAOYSA-N
XLogP1.30
TPSA91.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of sulfoformic acid;thiophene?
The IUPAC name of sulfoformic acid;thiophene (CID 159730608) is sulfoformic acid;thiophene.
What is the SMILES notation for sulfoformic acid;thiophene?
The canonical SMILES for sulfoformic acid;thiophene is O=C(O)S(=O)(=O)O.c1ccsc1.
What is the InChIKey of sulfoformic acid;thiophene?
The InChIKey is NBENBKHLEFFXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4S.CH2O5S/c1-2-4-5-3-1;2-1(3)7(4,5)6/h1-4H;(H,2,3)(H,4,5,6).
What are the key properties of sulfoformic acid;thiophene?
sulfoformic acid;thiophene has a molecular weight of 210.23 g/mol, XLogP of 1.30, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sulfoformic acid;thiophene is sourced from PubChem (CID 159730608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).