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

C4H3Cl3O3S2 — CID 174395716

IUPAC4,5-dichlorothiophene-2-sulfonic acid;hydrochloride
SMILESCl.O=S(=O)(O)c1cc(Cl)c(Cl)s1
InChIInChI=1S/C4H2Cl2O3S2.ClH/c5-2-1-3(10-4(2)6)11(7,8)9;/h1H,(H,7,8,9);1H
InChIKeySQTBGPIMOKKJDJ-UHFFFAOYSA-N
MW269.56 g/mol
LogP2.72
Rot. Bonds1

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

4,5-dichlorothiophene-2-sulfonic acid;hydrochloride (PubChem CID 174395716) has the molecular formula C4H3Cl3O3S2 and a molecular weight of 269.56 g/mol. Its IUPAC name is 4,5-dichlorothiophene-2-sulfonic acid;hydrochloride.

Molecular Properties

Compound Name4,5-dichlorothiophene-2-sulfonic acid;hydrochloride
PubChem CID174395716
Molecular FormulaC4H3Cl3O3S2
Molecular Weight269.56 g/mol
Exact Mass267.86
IUPAC Name4,5-dichlorothiophene-2-sulfonic acid;hydrochloride
SMILESCl.O=S(=O)(O)c1cc(Cl)c(Cl)s1
InChIInChI=1S/C4H2Cl2O3S2.ClH/c5-2-1-3(10-4(2)6)11(7,8)9;/h1H,(H,7,8,9);1H
InChIKeySQTBGPIMOKKJDJ-UHFFFAOYSA-N
XLogP2.72
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.56
LogP ≤ 52.72
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;hydrofluoride
CID 174546411
5-chloro-4-methylthiophene-2-sulfonic acid
CID 89170993
5-chloro-4-nitrothiophene-2-sulfonic acid;silver
CID 76602645
N-[tert-butyl(dimethyl)silyl]-4,5-dichlorothiophene-2-sulfonamide
CID 142522627
4,5-difluorothiophene-2-sulfonic acid
CID 126749965
2,5-dichlorothiophene-3-sulfonic acid;hydrofluoride
CID 174560905
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
5-chloro-2-methylthiophene-3-sulfonic acid;hydrochloride
CID 174739402
2-[(4,5-dichlorothiophen-2-yl)sulfonylamino]-3-phenylpropanamide
CID 6737140
4,5-dichloro-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide
CID 6737013

Frequently Asked Questions

What is the IUPAC name of 4,5-dichlorothiophene-2-sulfonic acid;hydrochloride?
The IUPAC name of 4,5-dichlorothiophene-2-sulfonic acid;hydrochloride (CID 174395716) is 4,5-dichlorothiophene-2-sulfonic acid;hydrochloride.
What is the SMILES notation for 4,5-dichlorothiophene-2-sulfonic acid;hydrochloride?
The canonical SMILES for 4,5-dichlorothiophene-2-sulfonic acid;hydrochloride is Cl.O=S(=O)(O)c1cc(Cl)c(Cl)s1.
What is the InChIKey of 4,5-dichlorothiophene-2-sulfonic acid;hydrochloride?
The InChIKey is SQTBGPIMOKKJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2Cl2O3S2.ClH/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;hydrochloride?
4,5-dichlorothiophene-2-sulfonic acid;hydrochloride has a molecular weight of 269.56 g/mol, XLogP of 2.72, 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;hydrochloride is sourced from PubChem (CID 174395716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).