4-sulfanylthiophene-2,3,5-trisulfinic acid

C4H4O6S5 — CID 139909582

IUPAC4-sulfanylthiophene-2,3,5-trisulfinic acid
SMILESO=S(O)c1sc(S(=O)O)c(S(=O)O)c1S
InChIInChI=1S/C4H4O6S5/c5-13(6)2-1(11)3(14(7)8)12-4(2)15(9)10/h11H,(H,5,6)(H,7,8)(H,9,10)
InChIKeyDDJKJISRHSFZBN-UHFFFAOYSA-N
MW308.41 g/mol
LogP0.78
Rot. Bonds3

About 4-sulfanylthiophene-2,3,5-trisulfinic acid

4-sulfanylthiophene-2,3,5-trisulfinic acid (PubChem CID 139909582) has the molecular formula C4H4O6S5 and a molecular weight of 308.41 g/mol. Its IUPAC name is 4-sulfanylthiophene-2,3,5-trisulfinic acid.

Molecular Properties

Compound Name4-sulfanylthiophene-2,3,5-trisulfinic acid
PubChem CID139909582
Molecular FormulaC4H4O6S5
Molecular Weight308.41 g/mol
Exact Mass307.86
IUPAC Name4-sulfanylthiophene-2,3,5-trisulfinic acid
SMILESO=S(O)c1sc(S(=O)O)c(S(=O)O)c1S
InChIInChI=1S/C4H4O6S5/c5-13(6)2-1(11)3(14(7)8)12-4(2)15(9)10/h11H,(H,5,6)(H,7,8)(H,9,10)
InChIKeyDDJKJISRHSFZBN-UHFFFAOYSA-N
XLogP0.78
TPSA111.90 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 50.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-sulfanylthiophene-2,3,5-trisulfinic acid?
The IUPAC name of 4-sulfanylthiophene-2,3,5-trisulfinic acid (CID 139909582) is 4-sulfanylthiophene-2,3,5-trisulfinic acid.
What is the SMILES notation for 4-sulfanylthiophene-2,3,5-trisulfinic acid?
The canonical SMILES for 4-sulfanylthiophene-2,3,5-trisulfinic acid is O=S(O)c1sc(S(=O)O)c(S(=O)O)c1S.
What is the InChIKey of 4-sulfanylthiophene-2,3,5-trisulfinic acid?
The InChIKey is DDJKJISRHSFZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4O6S5/c5-13(6)2-1(11)3(14(7)8)12-4(2)15(9)10/h11H,(H,5,6)(H,7,8)(H,9,10).
What are the key properties of 4-sulfanylthiophene-2,3,5-trisulfinic acid?
4-sulfanylthiophene-2,3,5-trisulfinic acid has a molecular weight of 308.41 g/mol, XLogP of 0.78, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-sulfanylthiophene-2,3,5-trisulfinic acid is sourced from PubChem (CID 139909582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).