2,5-dichlorothiophene-3-sulfinic acid

C4H2Cl2O2S2 — CID 2758229

IUPAC2,5-dichlorothiophene-3-sulfinic acid
SMILESO=S(O)c1cc(Cl)sc1Cl
InChIInChI=1S/C4H2Cl2O2S2/c5-3-1-2(10(7)8)4(6)9-3/h1H,(H,7,8)
InChIKeyIRJLSENDYORLMB-UHFFFAOYSA-N
MW217.10 g/mol
LogP2.64
Rot. Bonds1

About 2,5-dichlorothiophene-3-sulfinic acid

2,5-dichlorothiophene-3-sulfinic acid (PubChem CID 2758229) has the molecular formula C4H2Cl2O2S2 and a molecular weight of 217.10 g/mol. Its IUPAC name is 2,5-dichlorothiophene-3-sulfinic acid.

Molecular Properties

Compound Name2,5-dichlorothiophene-3-sulfinic acid
PubChem CID2758229
Molecular FormulaC4H2Cl2O2S2
Molecular Weight217.10 g/mol
Exact Mass215.89
IUPAC Name2,5-dichlorothiophene-3-sulfinic acid
SMILESO=S(O)c1cc(Cl)sc1Cl
InChIInChI=1S/C4H2Cl2O2S2/c5-3-1-2(10(7)8)4(6)9-3/h1H,(H,7,8)
InChIKeyIRJLSENDYORLMB-UHFFFAOYSA-N
XLogP2.64
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.10
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichlorothiophene-3-sulfinic acid?
The IUPAC name of 2,5-dichlorothiophene-3-sulfinic acid (CID 2758229) is 2,5-dichlorothiophene-3-sulfinic acid.
What is the SMILES notation for 2,5-dichlorothiophene-3-sulfinic acid?
The canonical SMILES for 2,5-dichlorothiophene-3-sulfinic acid is O=S(O)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichlorothiophene-3-sulfinic acid?
The InChIKey is IRJLSENDYORLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2Cl2O2S2/c5-3-1-2(10(7)8)4(6)9-3/h1H,(H,7,8).
What are the key properties of 2,5-dichlorothiophene-3-sulfinic acid?
2,5-dichlorothiophene-3-sulfinic acid has a molecular weight of 217.10 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichlorothiophene-3-sulfinic acid is sourced from PubChem (CID 2758229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).