2-(5-chlorothiophen-2-yl)ethenesulfonic acid

C6H5ClO3S2 — CID 54555369

IUPAC2-(5-chlorothiophen-2-yl)ethenesulfonic acid
SMILESO=S(=O)(O)C=Cc1ccc(Cl)s1
InChIInChI=1S/C6H5ClO3S2/c7-6-2-1-5(11-6)3-4-12(8,9)10/h1-4H,(H,8,9,10)
InChIKeyZMULFNPBBJBUSJ-UHFFFAOYSA-N
MW224.69 g/mol
LogP2.26
Rot. Bonds2

About 2-(5-chlorothiophen-2-yl)ethenesulfonic acid

2-(5-chlorothiophen-2-yl)ethenesulfonic acid (PubChem CID 54555369) has the molecular formula C6H5ClO3S2 and a molecular weight of 224.69 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)ethenesulfonic acid.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)ethenesulfonic acid
PubChem CID54555369
Molecular FormulaC6H5ClO3S2
Molecular Weight224.69 g/mol
Exact Mass223.94
IUPAC Name2-(5-chlorothiophen-2-yl)ethenesulfonic acid
SMILESO=S(=O)(O)C=Cc1ccc(Cl)s1
InChIInChI=1S/C6H5ClO3S2/c7-6-2-1-5(11-6)3-4-12(8,9)10/h1-4H,(H,8,9,10)
InChIKeyZMULFNPBBJBUSJ-UHFFFAOYSA-N
XLogP2.26
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 52.26
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

2-(5-chlorothiophen-2-yl)ethenesulfonyl chloride;tetrabutylazanium;iodide
CID 161325967
(Z)-1,3-bis(5-chlorothiophen-2-yl)prop-2-en-1-one
CID 92532745
5-chlorothiophene-2-carbaldehyde;ethane
CID 142192708
(E)-2-(5-chlorothiophen-2-yl)prop-1-ene-1-sulfonic acid
CID 87716239
(E)-N-(2-bromoprop-2-enyl)-3-(5-chlorothiophen-2-yl)prop-2-enamide
CID 115594447
3-(5-chlorothiophen-2-yl)-N-cyanoprop-2-enamide
CID 79194152
4-(5-chlorothiophen-2-yl)but-3-ene-1-thiol
CID 170477695
(E)-3-(5-chlorothiophen-2-yl)-N-(2-hydroxyethyl)prop-2-enamide
CID 43394522
ethyl 4-(5-chlorothiophen-2-yl)but-3-enoate
CID 170795521
(E)-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-3-(5-chlorothiophen-2-yl)prop-2-en-1-one
CID 24608160
2-[3-(5-chlorothiophen-2-yl)prop-2-enoyl-propan-2-ylamino]acetic acid
CID 76882179
3-(5-chlorothiophen-2-yl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 2797563

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)ethenesulfonic acid?
The IUPAC name of 2-(5-chlorothiophen-2-yl)ethenesulfonic acid (CID 54555369) is 2-(5-chlorothiophen-2-yl)ethenesulfonic acid.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)ethenesulfonic acid?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)ethenesulfonic acid is O=S(=O)(O)C=Cc1ccc(Cl)s1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)ethenesulfonic acid?
The InChIKey is ZMULFNPBBJBUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClO3S2/c7-6-2-1-5(11-6)3-4-12(8,9)10/h1-4H,(H,8,9,10).
What are the key properties of 2-(5-chlorothiophen-2-yl)ethenesulfonic acid?
2-(5-chlorothiophen-2-yl)ethenesulfonic acid has a molecular weight of 224.69 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)ethenesulfonic acid is sourced from PubChem (CID 54555369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).