2,5-dichlorothiophene-3-sulfonic acid;hydrofluoride

C4H3Cl2FO3S2 — CID 174560905

IUPAC2,5-dichlorothiophene-3-sulfonic acid;hydrofluoride
SMILESF.O=S(=O)(O)c1cc(Cl)sc1Cl
InChIInChI=1S/C4H2Cl2O3S2.FH/c5-3-1-2(4(6)10-3)11(7,8)9;/h1H,(H,7,8,9);1H
InChIKeyDUXBETKWEWKAQT-UHFFFAOYSA-N
MW253.10 g/mol
LogP2.45
Rot. Bonds1

About 2,5-dichlorothiophene-3-sulfonic acid;hydrofluoride

2,5-dichlorothiophene-3-sulfonic acid;hydrofluoride (PubChem CID 174560905) has the molecular formula C4H3Cl2FO3S2 and a molecular weight of 253.10 g/mol. Its IUPAC name is 2,5-dichlorothiophene-3-sulfonic acid;hydrofluoride.

Molecular Properties

Compound Name2,5-dichlorothiophene-3-sulfonic acid;hydrofluoride
PubChem CID174560905
Molecular FormulaC4H3Cl2FO3S2
Molecular Weight253.10 g/mol
Exact Mass251.89
IUPAC Name2,5-dichlorothiophene-3-sulfonic acid;hydrofluoride
SMILESF.O=S(=O)(O)c1cc(Cl)sc1Cl
InChIInChI=1S/C4H2Cl2O3S2.FH/c5-3-1-2(4(6)10-3)11(7,8)9;/h1H,(H,7,8,9);1H
InChIKeyDUXBETKWEWKAQT-UHFFFAOYSA-N
XLogP2.45
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.10
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-methylthiophene-3-sulfonic acid;hydrochloride
CID 174739402
2,5-dichloro-N-(5-hydroxypentyl)thiophene-3-sulfonamide
CID 107319312
2,5-dichloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylthiophene-3-sulfonamide
CID 113351327
1-(2,5-dichlorothiophen-3-yl)sulfonylpyrrolidine
CID 2805365
1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-4-ol
CID 43502793
4,5-dichlorothiophene-2-sulfonic acid;hydrofluoride
CID 174546411
2,5-dichloro-N-[2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-4,5-dimethylphenyl]thiophene-3-sulfonamide
CID 70138974
5-chloro-4-methylthiophene-2-sulfonic acid
CID 89170993
strontium;hydride;2,4,5-trichlorobenzenesulfonic acid
CID 173480175
2,5-dichloro-N-[(3,5-dichlorophenyl)methyl]thiophene-3-sulfonamide
CID 3871882
2,5-dichloro-N-(3-iodopropyl)thiophene-3-sulfonamide
CID 114504676
1-(2,5-dichlorothiophen-3-yl)sulfonylpiperazine
CID 43344137

Frequently Asked Questions

What is the IUPAC name of 2,5-dichlorothiophene-3-sulfonic acid;hydrofluoride?
The IUPAC name of 2,5-dichlorothiophene-3-sulfonic acid;hydrofluoride (CID 174560905) is 2,5-dichlorothiophene-3-sulfonic acid;hydrofluoride.
What is the SMILES notation for 2,5-dichlorothiophene-3-sulfonic acid;hydrofluoride?
The canonical SMILES for 2,5-dichlorothiophene-3-sulfonic acid;hydrofluoride is F.O=S(=O)(O)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichlorothiophene-3-sulfonic acid;hydrofluoride?
The InChIKey is DUXBETKWEWKAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2Cl2O3S2.FH/c5-3-1-2(4(6)10-3)11(7,8)9;/h1H,(H,7,8,9);1H.
What are the key properties of 2,5-dichlorothiophene-3-sulfonic acid;hydrofluoride?
2,5-dichlorothiophene-3-sulfonic acid;hydrofluoride has a molecular weight of 253.10 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichlorothiophene-3-sulfonic acid;hydrofluoride is sourced from PubChem (CID 174560905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).