5-chlorothiophene-2-sulfinic acid

C4H3ClO2S2 — CID 6861180

IUPAC5-chlorothiophene-2-sulfinic acid
SMILESO=S(O)c1ccc(Cl)s1
InChIInChI=1S/C4H3ClO2S2/c5-3-1-2-4(8-3)9(6)7/h1-2H,(H,6,7)
InChIKeyFRTVDSHLRLSAFL-UHFFFAOYSA-N
MW182.65 g/mol
LogP1.98
Rot. Bonds1

About 5-chlorothiophene-2-sulfinic acid

5-chlorothiophene-2-sulfinic acid (PubChem CID 6861180) has the molecular formula C4H3ClO2S2 and a molecular weight of 182.65 g/mol. Its IUPAC name is 5-chlorothiophene-2-sulfinic acid.

Molecular Properties

Compound Name5-chlorothiophene-2-sulfinic acid
PubChem CID6861180
Molecular FormulaC4H3ClO2S2
Molecular Weight182.65 g/mol
Exact Mass181.93
IUPAC Name5-chlorothiophene-2-sulfinic acid
SMILESO=S(O)c1ccc(Cl)s1
InChIInChI=1S/C4H3ClO2S2/c5-3-1-2-4(8-3)9(6)7/h1-2H,(H,6,7)
InChIKeyFRTVDSHLRLSAFL-UHFFFAOYSA-N
XLogP1.98
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.65
LogP ≤ 51.98
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 5-chlorothiophene-2-sulfinic acid?
The IUPAC name of 5-chlorothiophene-2-sulfinic acid (CID 6861180) is 5-chlorothiophene-2-sulfinic acid.
What is the SMILES notation for 5-chlorothiophene-2-sulfinic acid?
The canonical SMILES for 5-chlorothiophene-2-sulfinic acid is O=S(O)c1ccc(Cl)s1.
What is the InChIKey of 5-chlorothiophene-2-sulfinic acid?
The InChIKey is FRTVDSHLRLSAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3ClO2S2/c5-3-1-2-4(8-3)9(6)7/h1-2H,(H,6,7).
What are the key properties of 5-chlorothiophene-2-sulfinic acid?
5-chlorothiophene-2-sulfinic acid has a molecular weight of 182.65 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chlorothiophene-2-sulfinic acid is sourced from PubChem (CID 6861180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).