4,5-dichlorothiophene-2-sulfonic acid;hydrofluoride

C4H3Cl2FO3S2 — CID 174546411

IUPAC4,5-dichlorothiophene-2-sulfonic acid;hydrofluoride
SMILESF.O=S(=O)(O)c1cc(Cl)c(Cl)s1
InChIInChI=1S/C4H2Cl2O3S2.FH/c5-2-1-3(10-4(2)6)11(7,8)9;/h1H,(H,7,8,9);1H
InChIKeyCKDFQCOZPLPAFB-UHFFFAOYSA-N
MW253.10 g/mol
LogP2.45
Rot. Bonds1

About 4,5-dichlorothiophene-2-sulfonic acid;hydrofluoride

4,5-dichlorothiophene-2-sulfonic acid;hydrofluoride (PubChem CID 174546411) has the molecular formula C4H3Cl2FO3S2 and a molecular weight of 253.10 g/mol. Its IUPAC name is 4,5-dichlorothiophene-2-sulfonic acid;hydrofluoride.

Molecular Properties

Compound Name4,5-dichlorothiophene-2-sulfonic acid;hydrofluoride
PubChem CID174546411
Molecular FormulaC4H3Cl2FO3S2
Molecular Weight253.10 g/mol
Exact Mass251.89
IUPAC Name4,5-dichlorothiophene-2-sulfonic acid;hydrofluoride
SMILESF.O=S(=O)(O)c1cc(Cl)c(Cl)s1
InChIInChI=1S/C4H2Cl2O3S2.FH/c5-2-1-3(10-4(2)6)11(7,8)9;/h1H,(H,7,8,9);1H
InChIKeyCKDFQCOZPLPAFB-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

4,5-dichlorothiophene-2-sulfonic acid;hydrochloride
CID 174395716
5-chloro-4-methylthiophene-2-sulfonic acid
CID 89170993
5-chloro-4-nitrothiophene-2-sulfonic acid;silver
CID 76602645
2,5-dichlorothiophene-3-sulfonic acid;hydrofluoride
CID 174560905
N-[tert-butyl(dimethyl)silyl]-4,5-dichlorothiophene-2-sulfonamide
CID 142522627
4,5-difluorothiophene-2-sulfonic acid
CID 126749965
5-[[[tert-butyl(dimethyl)silyl]amino]sulfonimidoyl]-2,3-dichlorothiophene
CID 142522975
azane;1,3-dichloro-2-benzothiophene-5-sulfonic acid
CID 173329335
3-[(4,5-dichlorothiophen-2-yl)sulfonylamino]-2-hydroxybenzoic acid
CID 161390191
2-[(4,5-dichlorothiophen-2-yl)sulfonylamino]-3-phenylpropanamide
CID 6737140
4,5-dichloro-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide
CID 6737013
6-hydroxy-1-benzothiophene-2-sulfonic acid
CID 88601091

Frequently Asked Questions

What is the IUPAC name of 4,5-dichlorothiophene-2-sulfonic acid;hydrofluoride?
The IUPAC name of 4,5-dichlorothiophene-2-sulfonic acid;hydrofluoride (CID 174546411) is 4,5-dichlorothiophene-2-sulfonic acid;hydrofluoride.
What is the SMILES notation for 4,5-dichlorothiophene-2-sulfonic acid;hydrofluoride?
The canonical SMILES for 4,5-dichlorothiophene-2-sulfonic acid;hydrofluoride is F.O=S(=O)(O)c1cc(Cl)c(Cl)s1.
What is the InChIKey of 4,5-dichlorothiophene-2-sulfonic acid;hydrofluoride?
The InChIKey is CKDFQCOZPLPAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2Cl2O3S2.FH/c5-2-1-3(10-4(2)6)11(7,8)9;/h1H,(H,7,8,9);1H.
What are the key properties of 4,5-dichlorothiophene-2-sulfonic acid;hydrofluoride?
4,5-dichlorothiophene-2-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 4,5-dichlorothiophene-2-sulfonic acid;hydrofluoride is sourced from PubChem (CID 174546411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).